USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 45:sc= 0.605 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.77! C(o=-2.8!,f=-5.9!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0246) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -14:sc= 0.571 USER MOD Single : A 36 GLN : amide:sc= -0.172 K(o=-0.17,f=-2!) USER MOD Single : A 39 THR OG1 : rot -120:sc= 0.131 USER MOD Single : A 44 GLN : amide:sc= -2.44! C(o=-2.4!,f=-7.3!) USER MOD Single : A 48 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0369 USER MOD Single : A 73 TYR OH : rot 180:sc= -2.32! USER MOD Single : A 77 ASN : amide:sc= -1.13 K(o=-1.1,f=-2.2!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 57:sc= -1.03! USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc=-0.00811 X(o=-0.0081,f=0) USER MOD Single : A 107 SER OG : rot 150:sc= -0.0538 USER MOD Single : A 110 SER OG : rot -8:sc= 0.775 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.161 38.409 38.104 1.00 0.00 N ATOM 2 CA GLY A 1 -18.973 37.744 36.826 1.00 0.00 C ATOM 3 C GLY A 1 -17.866 36.692 36.914 1.00 0.00 C ATOM 4 O GLY A 1 -17.189 36.581 37.935 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.173 38.418 38.345 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.634 37.899 38.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.811 39.386 38.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.905 37.271 36.517 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.721 38.480 36.063 1.00 0.00 H new ATOM 8 N SER A 2 -17.714 35.947 35.829 1.00 0.00 N ATOM 9 CA SER A 2 -16.700 34.908 35.770 1.00 0.00 C ATOM 10 C SER A 2 -16.704 34.251 34.388 1.00 0.00 C ATOM 11 O SER A 2 -17.713 34.281 33.685 1.00 0.00 O ATOM 12 CB SER A 2 -16.924 33.857 36.858 1.00 0.00 C ATOM 13 OG SER A 2 -18.098 33.085 36.621 1.00 0.00 O ATOM 0 H SER A 2 -18.276 36.042 34.983 1.00 0.00 H new ATOM 0 HA SER A 2 -15.728 35.369 35.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.059 33.196 36.907 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.004 34.350 37.827 1.00 0.00 H new ATOM 0 HG SER A 2 -18.205 32.424 37.337 1.00 0.00 H new ATOM 19 N SER A 3 -15.564 33.671 34.040 1.00 0.00 N ATOM 20 CA SER A 3 -15.424 33.008 32.755 1.00 0.00 C ATOM 21 C SER A 3 -14.444 31.839 32.875 1.00 0.00 C ATOM 22 O SER A 3 -13.576 31.838 33.747 1.00 0.00 O ATOM 23 CB SER A 3 -14.954 33.987 31.678 1.00 0.00 C ATOM 24 OG SER A 3 -13.584 34.345 31.843 1.00 0.00 O ATOM 0 H SER A 3 -14.729 33.647 34.626 1.00 0.00 H new ATOM 0 HA SER A 3 -16.401 32.626 32.458 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.096 33.539 30.694 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.570 34.886 31.711 1.00 0.00 H new ATOM 0 HG SER A 3 -13.322 34.970 31.135 1.00 0.00 H new ATOM 30 N GLY A 4 -14.615 30.872 31.985 1.00 0.00 N ATOM 31 CA GLY A 4 -13.756 29.699 31.980 1.00 0.00 C ATOM 32 C GLY A 4 -12.970 29.602 30.671 1.00 0.00 C ATOM 33 O GLY A 4 -12.516 30.614 30.139 1.00 0.00 O ATOM 0 H GLY A 4 -15.335 30.877 31.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.064 29.746 32.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.359 28.801 32.114 1.00 0.00 H new ATOM 37 N SER A 5 -12.833 28.375 30.190 1.00 0.00 N ATOM 38 CA SER A 5 -12.109 28.132 28.954 1.00 0.00 C ATOM 39 C SER A 5 -12.188 26.650 28.584 1.00 0.00 C ATOM 40 O SER A 5 -12.553 25.818 29.413 1.00 0.00 O ATOM 41 CB SER A 5 -10.648 28.572 29.076 1.00 0.00 C ATOM 42 OG SER A 5 -10.015 28.009 30.221 1.00 0.00 O ATOM 0 H SER A 5 -13.211 27.538 30.634 1.00 0.00 H new ATOM 0 HA SER A 5 -12.573 28.722 28.164 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.104 28.276 28.179 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.600 29.659 29.133 1.00 0.00 H new ATOM 0 HG SER A 5 -9.084 28.312 30.262 1.00 0.00 H new ATOM 48 N SER A 6 -11.839 26.365 27.338 1.00 0.00 N ATOM 49 CA SER A 6 -11.866 24.997 26.848 1.00 0.00 C ATOM 50 C SER A 6 -10.444 24.523 26.540 1.00 0.00 C ATOM 51 O SER A 6 -9.698 25.202 25.836 1.00 0.00 O ATOM 52 CB SER A 6 -12.747 24.875 25.603 1.00 0.00 C ATOM 53 OG SER A 6 -13.383 23.603 25.522 1.00 0.00 O ATOM 0 H SER A 6 -11.536 27.058 26.653 1.00 0.00 H new ATOM 0 HA SER A 6 -12.293 24.364 27.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.504 25.659 25.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.140 25.034 24.712 1.00 0.00 H new ATOM 0 HG SER A 6 -13.937 23.565 24.715 1.00 0.00 H new ATOM 59 N GLY A 7 -10.111 23.362 27.084 1.00 0.00 N ATOM 60 CA GLY A 7 -8.791 22.790 26.877 1.00 0.00 C ATOM 61 C GLY A 7 -8.867 21.542 25.995 1.00 0.00 C ATOM 62 O GLY A 7 -9.391 20.511 26.415 1.00 0.00 O ATOM 0 H GLY A 7 -10.732 22.802 27.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.139 23.529 26.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.347 22.534 27.839 1.00 0.00 H new ATOM 66 N ALA A 8 -8.337 21.677 24.788 1.00 0.00 N ATOM 67 CA ALA A 8 -8.338 20.573 23.843 1.00 0.00 C ATOM 68 C ALA A 8 -7.422 20.914 22.666 1.00 0.00 C ATOM 69 O ALA A 8 -6.752 21.946 22.674 1.00 0.00 O ATOM 70 CB ALA A 8 -9.773 20.282 23.399 1.00 0.00 C ATOM 0 H ALA A 8 -7.904 22.534 24.443 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.951 19.668 24.311 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.774 19.454 22.690 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.376 20.017 24.267 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.193 21.168 22.923 1.00 0.00 H new ATOM 76 N ILE A 9 -7.422 20.028 21.681 1.00 0.00 N ATOM 77 CA ILE A 9 -6.600 20.223 20.499 1.00 0.00 C ATOM 78 C ILE A 9 -7.249 21.275 19.598 1.00 0.00 C ATOM 79 O ILE A 9 -8.473 21.391 19.556 1.00 0.00 O ATOM 80 CB ILE A 9 -6.344 18.887 19.798 1.00 0.00 C ATOM 81 CG1 ILE A 9 -5.775 17.855 20.775 1.00 0.00 C ATOM 82 CG2 ILE A 9 -5.446 19.073 18.574 1.00 0.00 C ATOM 83 CD1 ILE A 9 -4.440 18.326 21.354 1.00 0.00 C ATOM 0 H ILE A 9 -7.978 19.173 21.677 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.618 20.604 20.778 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.299 18.501 19.441 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.486 17.684 21.583 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.638 16.902 20.264 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.280 18.108 18.095 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.928 19.751 17.869 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.489 19.493 18.885 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.058 17.575 22.045 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.724 18.473 20.545 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.585 19.267 21.885 1.00 0.00 H new ATOM 95 N TYR A 10 -6.401 22.015 18.900 1.00 0.00 N ATOM 96 CA TYR A 10 -6.877 23.054 18.002 1.00 0.00 C ATOM 97 C TYR A 10 -6.114 23.025 16.676 1.00 0.00 C ATOM 98 O TYR A 10 -5.744 24.071 16.146 1.00 0.00 O ATOM 99 CB TYR A 10 -6.597 24.382 18.709 1.00 0.00 C ATOM 100 CG TYR A 10 -5.165 24.890 18.535 1.00 0.00 C ATOM 101 CD1 TYR A 10 -4.117 24.215 19.127 1.00 0.00 C ATOM 102 CD2 TYR A 10 -4.920 26.023 17.785 1.00 0.00 C ATOM 103 CE1 TYR A 10 -2.768 24.693 18.964 1.00 0.00 C ATOM 104 CE2 TYR A 10 -3.572 26.501 17.622 1.00 0.00 C ATOM 105 CZ TYR A 10 -2.562 25.813 18.219 1.00 0.00 C ATOM 106 OH TYR A 10 -1.289 26.264 18.064 1.00 0.00 O ATOM 0 H TYR A 10 -5.387 21.916 18.938 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.935 22.914 17.779 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.287 25.136 18.331 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.804 24.266 19.773 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.308 23.328 19.713 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.740 26.551 17.321 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.939 24.174 19.423 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.367 27.386 17.039 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.293 27.071 17.507 1.00 0.00 H new ATOM 116 N VAL A 11 -5.901 21.815 16.179 1.00 0.00 N ATOM 117 CA VAL A 11 -5.189 21.636 14.925 1.00 0.00 C ATOM 118 C VAL A 11 -5.128 20.145 14.587 1.00 0.00 C ATOM 119 O VAL A 11 -4.614 19.348 15.370 1.00 0.00 O ATOM 120 CB VAL A 11 -3.807 22.287 15.011 1.00 0.00 C ATOM 121 CG1 VAL A 11 -2.739 21.259 15.390 1.00 0.00 C ATOM 122 CG2 VAL A 11 -3.450 22.990 13.700 1.00 0.00 C ATOM 0 H VAL A 11 -6.209 20.949 16.622 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.717 22.132 14.111 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.840 23.041 15.798 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.766 21.748 15.444 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.981 20.824 16.360 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.708 20.472 14.637 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.463 23.444 13.788 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.444 22.263 12.887 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.188 23.764 13.489 1.00 0.00 H new ATOM 132 N ASP A 12 -5.659 19.814 13.419 1.00 0.00 N ATOM 133 CA ASP A 12 -5.671 18.433 12.968 1.00 0.00 C ATOM 134 C ASP A 12 -5.337 18.386 11.476 1.00 0.00 C ATOM 135 O ASP A 12 -6.213 18.571 10.633 1.00 0.00 O ATOM 136 CB ASP A 12 -7.051 17.802 13.163 1.00 0.00 C ATOM 137 CG ASP A 12 -7.277 17.149 14.528 1.00 0.00 C ATOM 138 OD1 ASP A 12 -6.715 16.051 14.732 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.007 17.762 15.337 1.00 0.00 O ATOM 0 H ASP A 12 -6.084 20.478 12.772 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.936 17.881 13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.809 18.571 13.015 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.203 17.051 12.388 1.00 0.00 H new ATOM 144 N LEU A 13 -4.066 18.136 11.195 1.00 0.00 N ATOM 145 CA LEU A 13 -3.605 18.062 9.819 1.00 0.00 C ATOM 146 C LEU A 13 -4.593 17.232 8.998 1.00 0.00 C ATOM 147 O LEU A 13 -5.354 16.440 9.551 1.00 0.00 O ATOM 148 CB LEU A 13 -2.168 17.540 9.763 1.00 0.00 C ATOM 149 CG LEU A 13 -1.084 18.504 10.249 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.021 17.767 11.066 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.473 19.278 9.079 1.00 0.00 C ATOM 0 H LEU A 13 -3.342 17.982 11.897 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.576 19.056 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.110 16.629 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.944 17.262 8.733 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.549 19.235 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.738 18.475 11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.488 17.300 11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.446 17.000 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.295 19.956 9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.026 18.578 8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.251 19.853 8.577 1.00 0.00 H new ATOM 163 N PRO A 14 -4.549 17.447 7.656 1.00 0.00 N ATOM 164 CA PRO A 14 -5.431 16.728 6.753 1.00 0.00 C ATOM 165 C PRO A 14 -4.969 15.281 6.571 1.00 0.00 C ATOM 166 O PRO A 14 -3.778 14.989 6.668 1.00 0.00 O ATOM 167 CB PRO A 14 -5.406 17.526 5.459 1.00 0.00 C ATOM 168 CG PRO A 14 -4.160 18.394 5.529 1.00 0.00 C ATOM 169 CD PRO A 14 -3.660 18.377 6.965 1.00 0.00 C ATOM 0 HA PRO A 14 -6.448 16.647 7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.373 16.865 4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.303 18.137 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.393 18.016 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.387 19.413 5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.622 18.047 7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.702 19.371 7.411 1.00 0.00 H new ATOM 177 N ASN A 15 -5.936 14.413 6.310 1.00 0.00 N ATOM 178 CA ASN A 15 -5.643 13.003 6.114 1.00 0.00 C ATOM 179 C ASN A 15 -6.785 12.354 5.331 1.00 0.00 C ATOM 180 O ASN A 15 -7.890 12.891 5.278 1.00 0.00 O ATOM 181 CB ASN A 15 -5.515 12.276 7.454 1.00 0.00 C ATOM 182 CG ASN A 15 -4.964 13.209 8.534 1.00 0.00 C ATOM 183 OD1 ASN A 15 -3.775 13.469 8.619 1.00 0.00 O ATOM 184 ND2 ASN A 15 -5.892 13.696 9.353 1.00 0.00 N ATOM 0 H ASN A 15 -6.923 14.659 6.230 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.701 12.926 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.490 11.896 7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.857 11.414 7.343 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.625 14.328 10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.871 13.438 9.226 1.00 0.00 H new ATOM 191 N ARG A 16 -6.479 11.207 4.742 1.00 0.00 N ATOM 192 CA ARG A 16 -7.466 10.479 3.963 1.00 0.00 C ATOM 193 C ARG A 16 -7.190 8.975 4.029 1.00 0.00 C ATOM 194 O ARG A 16 -6.051 8.542 3.857 1.00 0.00 O ATOM 195 CB ARG A 16 -7.456 10.929 2.501 1.00 0.00 C ATOM 196 CG ARG A 16 -8.878 11.175 1.993 1.00 0.00 C ATOM 197 CD ARG A 16 -9.663 9.864 1.905 1.00 0.00 C ATOM 198 NE ARG A 16 -10.636 9.931 0.792 1.00 0.00 N ATOM 199 CZ ARG A 16 -10.295 9.953 -0.504 1.00 0.00 C ATOM 200 NH1 ARG A 16 -9.004 9.914 -0.857 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.246 10.015 -1.446 1.00 0.00 N ATOM 0 H ARG A 16 -5.561 10.764 4.789 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.447 10.691 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.868 11.841 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.973 10.170 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.392 11.867 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.841 11.647 1.011 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.978 9.030 1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.184 9.679 2.844 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.628 9.962 1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.280 9.868 -0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.744 9.931 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.229 10.045 -1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.987 10.032 -2.432 1.00 0.00 H new ATOM 215 N GLN A 17 -8.250 8.221 4.278 1.00 0.00 N ATOM 216 CA GLN A 17 -8.136 6.776 4.369 1.00 0.00 C ATOM 217 C GLN A 17 -8.954 6.108 3.262 1.00 0.00 C ATOM 218 O GLN A 17 -9.875 6.713 2.715 1.00 0.00 O ATOM 219 CB GLN A 17 -8.571 6.277 5.748 1.00 0.00 C ATOM 220 CG GLN A 17 -9.944 6.836 6.126 1.00 0.00 C ATOM 221 CD GLN A 17 -10.705 5.861 7.027 1.00 0.00 C ATOM 222 OE1 GLN A 17 -10.755 6.004 8.238 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.292 4.864 6.371 1.00 0.00 N ATOM 0 H GLN A 17 -9.193 8.584 4.420 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.089 6.505 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.605 5.188 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.835 6.575 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.823 7.791 6.638 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -10.523 7.029 5.223 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.211 4.803 5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.824 4.160 6.883 1.00 0.00 H new ATOM 232 N LEU A 18 -8.589 4.870 2.964 1.00 0.00 N ATOM 233 CA LEU A 18 -9.277 4.114 1.932 1.00 0.00 C ATOM 234 C LEU A 18 -9.271 2.630 2.303 1.00 0.00 C ATOM 235 O LEU A 18 -8.615 2.229 3.263 1.00 0.00 O ATOM 236 CB LEU A 18 -8.670 4.407 0.558 1.00 0.00 C ATOM 237 CG LEU A 18 -8.798 5.849 0.062 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.748 6.156 -1.007 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.218 6.135 -0.431 1.00 0.00 C ATOM 0 H LEU A 18 -7.825 4.371 3.420 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.320 4.422 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.612 4.146 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.140 3.749 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.608 6.517 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.861 7.187 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.751 6.018 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.883 5.482 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.282 7.166 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.461 5.460 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.924 5.982 0.385 1.00 0.00 H new ATOM 251 N LYS A 19 -10.009 1.854 1.522 1.00 0.00 N ATOM 252 CA LYS A 19 -10.097 0.423 1.757 1.00 0.00 C ATOM 253 C LYS A 19 -10.166 -0.306 0.414 1.00 0.00 C ATOM 254 O LYS A 19 -11.061 -0.051 -0.390 1.00 0.00 O ATOM 255 CB LYS A 19 -11.266 0.104 2.691 1.00 0.00 C ATOM 256 CG LYS A 19 -10.780 -0.102 4.127 1.00 0.00 C ATOM 257 CD LYS A 19 -11.936 -0.507 5.044 1.00 0.00 C ATOM 258 CE LYS A 19 -11.450 -0.719 6.479 1.00 0.00 C ATOM 259 NZ LYS A 19 -11.555 0.539 7.252 1.00 0.00 N ATOM 0 H LYS A 19 -10.551 2.190 0.726 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.204 0.065 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.992 0.917 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.779 -0.793 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.009 -0.872 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.323 0.817 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.706 0.265 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.395 -1.423 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.042 -1.498 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.416 -1.063 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.302 0.359 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.907 1.247 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.530 0.896 7.203 1.00 0.00 H new ATOM 273 N VAL A 20 -9.209 -1.200 0.212 1.00 0.00 N ATOM 274 CA VAL A 20 -9.149 -1.968 -1.020 1.00 0.00 C ATOM 275 C VAL A 20 -9.542 -3.419 -0.731 1.00 0.00 C ATOM 276 O VAL A 20 -8.725 -4.202 -0.247 1.00 0.00 O ATOM 277 CB VAL A 20 -7.762 -1.839 -1.651 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.797 -2.211 -3.135 1.00 0.00 C ATOM 279 CG2 VAL A 20 -7.198 -0.430 -1.452 1.00 0.00 C ATOM 0 H VAL A 20 -8.468 -1.410 0.881 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.860 -1.577 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.098 -2.540 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.798 -2.111 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.135 -3.241 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.483 -1.546 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.211 -0.365 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.863 0.297 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.118 -0.217 -0.386 1.00 0.00 H new ATOM 289 N LYS A 21 -10.791 -3.733 -1.039 1.00 0.00 N ATOM 290 CA LYS A 21 -11.302 -5.075 -0.818 1.00 0.00 C ATOM 291 C LYS A 21 -10.584 -6.049 -1.755 1.00 0.00 C ATOM 292 O LYS A 21 -11.157 -6.499 -2.746 1.00 0.00 O ATOM 293 CB LYS A 21 -12.825 -5.099 -0.957 1.00 0.00 C ATOM 294 CG LYS A 21 -13.500 -4.600 0.323 1.00 0.00 C ATOM 295 CD LYS A 21 -14.299 -3.322 0.059 1.00 0.00 C ATOM 296 CE LYS A 21 -14.137 -2.326 1.210 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.061 -1.183 1.039 1.00 0.00 N ATOM 0 H LYS A 21 -11.465 -3.081 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.093 -5.399 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.127 -4.475 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.158 -6.113 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.162 -5.373 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.745 -4.410 1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.964 -2.865 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.353 -3.568 -0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.335 -2.823 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.108 -1.968 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.987 -0.551 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.810 -0.659 0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.037 -1.534 0.959 1.00 0.00 H new ATOM 311 N VAL A 22 -9.341 -6.347 -1.408 1.00 0.00 N ATOM 312 CA VAL A 22 -8.539 -7.259 -2.205 1.00 0.00 C ATOM 313 C VAL A 22 -9.393 -8.463 -2.609 1.00 0.00 C ATOM 314 O VAL A 22 -10.189 -8.958 -1.812 1.00 0.00 O ATOM 315 CB VAL A 22 -7.276 -7.654 -1.438 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.271 -6.500 -1.405 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.618 -8.123 -0.022 1.00 0.00 C ATOM 0 H VAL A 22 -8.869 -5.973 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.207 -6.772 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.812 -8.488 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.382 -6.807 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.991 -6.232 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.723 -5.638 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.702 -8.398 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.117 -7.318 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.279 -8.988 -0.075 1.00 0.00 H new ATOM 327 N ALA A 23 -9.200 -8.898 -3.845 1.00 0.00 N ATOM 328 CA ALA A 23 -9.943 -10.034 -4.364 1.00 0.00 C ATOM 329 C ALA A 23 -9.518 -11.300 -3.616 1.00 0.00 C ATOM 330 O ALA A 23 -10.334 -12.191 -3.384 1.00 0.00 O ATOM 331 CB ALA A 23 -9.718 -10.145 -5.873 1.00 0.00 C ATOM 0 H ALA A 23 -8.539 -8.484 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.013 -9.899 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.275 -10.997 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.062 -9.233 -6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.656 -10.284 -6.073 1.00 0.00 H new ATOM 337 N ASP A 24 -8.243 -11.338 -3.260 1.00 0.00 N ATOM 338 CA ASP A 24 -7.700 -12.480 -2.543 1.00 0.00 C ATOM 339 C ASP A 24 -6.188 -12.309 -2.390 1.00 0.00 C ATOM 340 O ASP A 24 -5.664 -11.208 -2.554 1.00 0.00 O ATOM 341 CB ASP A 24 -7.954 -13.781 -3.307 1.00 0.00 C ATOM 342 CG ASP A 24 -8.266 -14.996 -2.431 1.00 0.00 C ATOM 343 OD1 ASP A 24 -9.242 -14.900 -1.655 1.00 0.00 O ATOM 344 OD2 ASP A 24 -7.522 -15.993 -2.557 1.00 0.00 O ATOM 0 H ASP A 24 -7.570 -10.597 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.189 -12.531 -1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.785 -13.625 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.077 -14.005 -3.914 1.00 0.00 H new ATOM 349 N ARG A 25 -5.528 -13.414 -2.077 1.00 0.00 N ATOM 350 CA ARG A 25 -4.086 -13.400 -1.900 1.00 0.00 C ATOM 351 C ARG A 25 -3.417 -14.329 -2.916 1.00 0.00 C ATOM 352 O ARG A 25 -4.097 -15.002 -3.688 1.00 0.00 O ATOM 353 CB ARG A 25 -3.700 -13.840 -0.486 1.00 0.00 C ATOM 354 CG ARG A 25 -2.946 -12.729 0.247 1.00 0.00 C ATOM 355 CD ARG A 25 -3.285 -12.728 1.739 1.00 0.00 C ATOM 356 NE ARG A 25 -4.384 -11.774 2.008 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.828 -11.465 3.234 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.269 -12.033 4.311 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.831 -10.589 3.382 1.00 0.00 N ATOM 0 H ARG A 25 -5.965 -14.325 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.743 -12.377 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.597 -14.106 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.079 -14.734 -0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.873 -12.864 0.114 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.201 -11.763 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.577 -13.730 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.404 -12.454 2.320 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.832 -11.323 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.506 -12.700 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.607 -11.798 5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.256 -10.157 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.169 -10.354 4.315 1.00 0.00 H new ATOM 373 N ARG A 26 -2.092 -14.336 -2.881 1.00 0.00 N ATOM 374 CA ARG A 26 -1.324 -15.171 -3.789 1.00 0.00 C ATOM 375 C ARG A 26 -1.696 -14.859 -5.240 1.00 0.00 C ATOM 376 O ARG A 26 -2.345 -13.851 -5.515 1.00 0.00 O ATOM 377 CB ARG A 26 -1.572 -16.655 -3.515 1.00 0.00 C ATOM 378 CG ARG A 26 -0.291 -17.347 -3.044 1.00 0.00 C ATOM 379 CD ARG A 26 -0.554 -18.202 -1.803 1.00 0.00 C ATOM 380 NE ARG A 26 0.174 -17.646 -0.641 1.00 0.00 N ATOM 381 CZ ARG A 26 -0.106 -17.946 0.635 1.00 0.00 C ATOM 382 NH1 ARG A 26 -1.099 -18.798 0.920 1.00 0.00 N ATOM 383 NH2 ARG A 26 0.608 -17.393 1.625 1.00 0.00 N ATOM 0 H ARG A 26 -1.531 -13.777 -2.238 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.268 -14.954 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.348 -16.764 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.940 -17.139 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.104 -17.973 -3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.469 -16.599 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.623 -18.232 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.236 -19.229 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 26 0.937 -16.994 -0.822 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.642 -19.219 0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.312 -19.026 1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.364 -16.744 1.407 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.395 -17.621 2.596 1.00 0.00 H new ATOM 397 N VAL A 27 -1.268 -15.742 -6.130 1.00 0.00 N ATOM 398 CA VAL A 27 -1.548 -15.573 -7.546 1.00 0.00 C ATOM 399 C VAL A 27 -0.696 -14.429 -8.097 1.00 0.00 C ATOM 400 O VAL A 27 0.188 -14.650 -8.924 1.00 0.00 O ATOM 401 CB VAL A 27 -3.048 -15.360 -7.761 1.00 0.00 C ATOM 402 CG1 VAL A 27 -3.419 -15.528 -9.236 1.00 0.00 C ATOM 403 CG2 VAL A 27 -3.868 -16.302 -6.878 1.00 0.00 C ATOM 0 H VAL A 27 -0.729 -16.577 -5.898 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.279 -16.473 -8.099 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.287 -14.337 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.490 -15.372 -9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.873 -14.798 -9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.158 -16.534 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.930 -16.130 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.623 -17.336 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.635 -16.113 -5.830 1.00 0.00 H new ATOM 413 N ILE A 28 -0.991 -13.229 -7.617 1.00 0.00 N ATOM 414 CA ILE A 28 -0.263 -12.049 -8.051 1.00 0.00 C ATOM 415 C ILE A 28 1.240 -12.307 -7.922 1.00 0.00 C ATOM 416 O ILE A 28 1.676 -13.018 -7.019 1.00 0.00 O ATOM 417 CB ILE A 28 -0.743 -10.813 -7.289 1.00 0.00 C ATOM 418 CG1 ILE A 28 -2.118 -10.362 -7.786 1.00 0.00 C ATOM 419 CG2 ILE A 28 0.291 -9.687 -7.363 1.00 0.00 C ATOM 420 CD1 ILE A 28 -2.895 -9.651 -6.676 1.00 0.00 C ATOM 0 H ILE A 28 -1.725 -13.049 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.462 -11.843 -9.103 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.852 -11.081 -6.238 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.999 -9.693 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.684 -11.226 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.075 -8.820 -6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.229 -10.025 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.456 -9.413 -8.405 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.869 -9.340 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.033 -10.331 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.338 -8.774 -6.346 1.00 0.00 H new ATOM 432 N SER A 29 1.990 -11.713 -8.839 1.00 0.00 N ATOM 433 CA SER A 29 3.435 -11.869 -8.839 1.00 0.00 C ATOM 434 C SER A 29 4.044 -11.103 -7.663 1.00 0.00 C ATOM 435 O SER A 29 4.718 -11.690 -6.818 1.00 0.00 O ATOM 436 CB SER A 29 4.041 -11.386 -10.158 1.00 0.00 C ATOM 437 OG SER A 29 3.322 -11.875 -11.287 1.00 0.00 O ATOM 0 H SER A 29 1.624 -11.123 -9.587 1.00 0.00 H new ATOM 0 HA SER A 29 3.665 -12.929 -8.732 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.047 -10.296 -10.176 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.079 -11.712 -10.221 1.00 0.00 H new ATOM 0 HG SER A 29 3.739 -11.543 -12.109 1.00 0.00 H new ATOM 443 N THR A 30 3.785 -9.804 -7.647 1.00 0.00 N ATOM 444 CA THR A 30 4.299 -8.951 -6.589 1.00 0.00 C ATOM 445 C THR A 30 3.436 -9.082 -5.332 1.00 0.00 C ATOM 446 O THR A 30 2.962 -8.083 -4.794 1.00 0.00 O ATOM 447 CB THR A 30 4.375 -7.522 -7.128 1.00 0.00 C ATOM 448 OG1 THR A 30 5.302 -7.606 -8.207 1.00 0.00 O ATOM 449 CG2 THR A 30 5.038 -6.558 -6.141 1.00 0.00 C ATOM 0 H THR A 30 3.226 -9.321 -8.350 1.00 0.00 H new ATOM 0 HA THR A 30 5.302 -9.254 -6.289 1.00 0.00 H new ATOM 0 HB THR A 30 3.371 -7.169 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.410 -6.722 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.067 -5.558 -6.573 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.466 -6.537 -5.213 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.054 -6.892 -5.933 1.00 0.00 H new ATOM 457 N THR A 31 3.259 -10.322 -4.901 1.00 0.00 N ATOM 458 CA THR A 31 2.461 -10.596 -3.718 1.00 0.00 C ATOM 459 C THR A 31 2.839 -11.954 -3.123 1.00 0.00 C ATOM 460 O THR A 31 1.966 -12.740 -2.756 1.00 0.00 O ATOM 461 CB THR A 31 0.986 -10.493 -4.108 1.00 0.00 C ATOM 462 OG1 THR A 31 0.779 -9.098 -4.317 1.00 0.00 O ATOM 463 CG2 THR A 31 0.048 -10.839 -2.949 1.00 0.00 C ATOM 0 H THR A 31 3.654 -11.148 -5.350 1.00 0.00 H new ATOM 0 HA THR A 31 2.655 -9.866 -2.932 1.00 0.00 H new ATOM 0 HB THR A 31 0.786 -11.158 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.537 -8.596 -3.951 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.987 -10.750 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.237 -11.861 -2.620 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.225 -10.153 -2.121 1.00 0.00 H new ATOM 471 N ASP A 32 4.141 -12.189 -3.046 1.00 0.00 N ATOM 472 CA ASP A 32 4.644 -13.439 -2.502 1.00 0.00 C ATOM 473 C ASP A 32 6.000 -13.191 -1.837 1.00 0.00 C ATOM 474 O ASP A 32 6.549 -12.095 -1.929 1.00 0.00 O ATOM 475 CB ASP A 32 4.843 -14.480 -3.606 1.00 0.00 C ATOM 476 CG ASP A 32 4.550 -15.924 -3.193 1.00 0.00 C ATOM 477 OD1 ASP A 32 4.265 -16.124 -1.993 1.00 0.00 O ATOM 478 OD2 ASP A 32 4.617 -16.794 -4.088 1.00 0.00 O ATOM 0 H ASP A 32 4.862 -11.535 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 32 3.915 -13.811 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.201 -14.222 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.872 -14.421 -3.959 1.00 0.00 H new ATOM 483 N ALA A 33 6.500 -14.228 -1.181 1.00 0.00 N ATOM 484 CA ALA A 33 7.781 -14.137 -0.501 1.00 0.00 C ATOM 485 C ALA A 33 7.698 -13.069 0.592 1.00 0.00 C ATOM 486 O ALA A 33 6.917 -12.124 0.483 1.00 0.00 O ATOM 487 CB ALA A 33 8.881 -13.842 -1.522 1.00 0.00 C ATOM 0 H ALA A 33 6.041 -15.136 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 33 8.028 -15.083 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.842 -13.774 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.918 -14.644 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.668 -12.898 -2.023 1.00 0.00 H new ATOM 493 N GLU A 34 8.513 -13.255 1.619 1.00 0.00 N ATOM 494 CA GLU A 34 8.542 -12.319 2.730 1.00 0.00 C ATOM 495 C GLU A 34 9.924 -12.317 3.387 1.00 0.00 C ATOM 496 O GLU A 34 10.039 -12.498 4.598 1.00 0.00 O ATOM 497 CB GLU A 34 7.450 -12.646 3.751 1.00 0.00 C ATOM 498 CG GLU A 34 6.357 -11.576 3.748 1.00 0.00 C ATOM 499 CD GLU A 34 5.126 -12.046 4.526 1.00 0.00 C ATOM 500 OE1 GLU A 34 4.617 -13.133 4.179 1.00 0.00 O ATOM 501 OE2 GLU A 34 4.723 -11.307 5.449 1.00 0.00 O ATOM 0 H GLU A 34 9.159 -14.040 1.706 1.00 0.00 H new ATOM 0 HA GLU A 34 8.344 -11.320 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.013 -13.618 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.888 -12.720 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.742 -10.657 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.075 -11.342 2.721 1.00 0.00 H new ATOM 508 N ARG A 35 10.937 -12.111 2.559 1.00 0.00 N ATOM 509 CA ARG A 35 12.306 -12.083 3.044 1.00 0.00 C ATOM 510 C ARG A 35 13.120 -11.038 2.278 1.00 0.00 C ATOM 511 O ARG A 35 12.711 -10.591 1.208 1.00 0.00 O ATOM 512 CB ARG A 35 12.973 -13.452 2.890 1.00 0.00 C ATOM 513 CG ARG A 35 13.988 -13.696 4.009 1.00 0.00 C ATOM 514 CD ARG A 35 14.252 -15.192 4.191 1.00 0.00 C ATOM 515 NE ARG A 35 14.584 -15.479 5.605 1.00 0.00 N ATOM 516 CZ ARG A 35 15.705 -15.067 6.212 1.00 0.00 C ATOM 517 NH1 ARG A 35 16.610 -14.349 5.532 1.00 0.00 N ATOM 518 NH2 ARG A 35 15.922 -15.374 7.498 1.00 0.00 N ATOM 0 H ARG A 35 10.837 -11.962 1.555 1.00 0.00 H new ATOM 0 HA ARG A 35 12.277 -11.822 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 35 12.214 -14.234 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 35 13.472 -13.511 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 35 14.922 -13.184 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.616 -13.272 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.374 -15.764 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 35 15.072 -15.506 3.545 1.00 0.00 H new ATOM 0 HE ARG A 35 13.917 -16.025 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 35 16.445 -14.116 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 17.464 -14.035 5.994 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.234 -15.921 8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.775 -15.060 7.960 1.00 0.00 H new ATOM 532 N GLN A 36 14.256 -10.679 2.857 1.00 0.00 N ATOM 533 CA GLN A 36 15.130 -9.694 2.242 1.00 0.00 C ATOM 534 C GLN A 36 14.441 -8.329 2.193 1.00 0.00 C ATOM 535 O GLN A 36 13.658 -8.058 1.284 1.00 0.00 O ATOM 536 CB GLN A 36 15.562 -10.141 0.845 1.00 0.00 C ATOM 537 CG GLN A 36 16.998 -9.703 0.548 1.00 0.00 C ATOM 538 CD GLN A 36 17.680 -10.674 -0.418 1.00 0.00 C ATOM 539 OE1 GLN A 36 17.312 -11.832 -0.537 1.00 0.00 O ATOM 540 NE2 GLN A 36 18.690 -10.141 -1.099 1.00 0.00 N ATOM 0 H GLN A 36 14.592 -11.052 3.745 1.00 0.00 H new ATOM 0 HA GLN A 36 16.029 -9.603 2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.485 -11.225 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.888 -9.719 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.995 -8.701 0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.565 -9.651 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.946 -9.165 -0.951 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.209 -10.708 -1.769 1.00 0.00 H new ATOM 549 N ALA A 37 14.757 -7.506 3.182 1.00 0.00 N ATOM 550 CA ALA A 37 14.177 -6.176 3.262 1.00 0.00 C ATOM 551 C ALA A 37 12.661 -6.294 3.432 1.00 0.00 C ATOM 552 O ALA A 37 12.028 -7.146 2.809 1.00 0.00 O ATOM 553 CB ALA A 37 14.564 -5.374 2.018 1.00 0.00 C ATOM 0 H ALA A 37 15.407 -7.734 3.934 1.00 0.00 H new ATOM 0 HA ALA A 37 14.565 -5.640 4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.129 -4.376 2.078 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.649 -5.293 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.190 -5.880 1.128 1.00 0.00 H new ATOM 559 N VAL A 38 12.123 -5.427 4.277 1.00 0.00 N ATOM 560 CA VAL A 38 10.693 -5.424 4.536 1.00 0.00 C ATOM 561 C VAL A 38 9.939 -5.390 3.205 1.00 0.00 C ATOM 562 O VAL A 38 10.205 -4.539 2.358 1.00 0.00 O ATOM 563 CB VAL A 38 10.331 -4.259 5.459 1.00 0.00 C ATOM 564 CG1 VAL A 38 11.056 -2.979 5.036 1.00 0.00 C ATOM 565 CG2 VAL A 38 8.817 -4.043 5.502 1.00 0.00 C ATOM 0 H VAL A 38 12.651 -4.722 4.791 1.00 0.00 H new ATOM 0 HA VAL A 38 10.396 -6.336 5.055 1.00 0.00 H new ATOM 0 HB VAL A 38 10.661 -4.514 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.781 -2.166 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.133 -3.139 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.770 -2.719 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.587 -3.209 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.453 -3.820 4.499 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.331 -4.946 5.872 1.00 0.00 H new ATOM 575 N THR A 39 9.011 -6.325 3.064 1.00 0.00 N ATOM 576 CA THR A 39 8.215 -6.412 1.851 1.00 0.00 C ATOM 577 C THR A 39 6.926 -5.602 1.999 1.00 0.00 C ATOM 578 O THR A 39 6.477 -5.341 3.114 1.00 0.00 O ATOM 579 CB THR A 39 7.972 -7.893 1.550 1.00 0.00 C ATOM 580 OG1 THR A 39 7.757 -8.476 2.833 1.00 0.00 O ATOM 581 CG2 THR A 39 9.225 -8.597 1.025 1.00 0.00 C ATOM 0 H THR A 39 8.792 -7.029 3.769 1.00 0.00 H new ATOM 0 HA THR A 39 8.740 -5.975 1.002 1.00 0.00 H new ATOM 0 HB THR A 39 7.169 -7.989 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.433 -9.167 2.996 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.998 -9.645 0.828 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.553 -8.117 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.018 -8.532 1.770 1.00 0.00 H new ATOM 589 N PRO A 40 6.351 -5.217 0.828 1.00 0.00 N ATOM 590 CA PRO A 40 6.948 -5.568 -0.449 1.00 0.00 C ATOM 591 C PRO A 40 8.182 -4.710 -0.733 1.00 0.00 C ATOM 592 O PRO A 40 8.220 -3.534 -0.373 1.00 0.00 O ATOM 593 CB PRO A 40 5.839 -5.369 -1.469 1.00 0.00 C ATOM 594 CG PRO A 40 4.809 -4.475 -0.797 1.00 0.00 C ATOM 595 CD PRO A 40 5.123 -4.440 0.690 1.00 0.00 C ATOM 0 HA PRO A 40 7.315 -6.594 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.223 -4.907 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.399 -6.323 -1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.843 -3.470 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.803 -4.858 -0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.260 -3.417 1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.312 -4.873 1.276 1.00 0.00 H new ATOM 603 N PRO A 41 9.186 -5.347 -1.392 1.00 0.00 N ATOM 604 CA PRO A 41 10.419 -4.654 -1.728 1.00 0.00 C ATOM 605 C PRO A 41 10.207 -3.698 -2.903 1.00 0.00 C ATOM 606 O PRO A 41 10.152 -4.127 -4.055 1.00 0.00 O ATOM 607 CB PRO A 41 11.420 -5.757 -2.032 1.00 0.00 C ATOM 608 CG PRO A 41 10.595 -7.004 -2.308 1.00 0.00 C ATOM 609 CD PRO A 41 9.176 -6.738 -1.834 1.00 0.00 C ATOM 0 HA PRO A 41 10.780 -4.020 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.037 -5.498 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.096 -5.914 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.604 -7.240 -3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.017 -7.864 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.455 -6.893 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.898 -7.409 -1.022 1.00 0.00 H new ATOM 617 N GLY A 42 10.095 -2.420 -2.572 1.00 0.00 N ATOM 618 CA GLY A 42 9.891 -1.399 -3.586 1.00 0.00 C ATOM 619 C GLY A 42 8.777 -0.433 -3.175 1.00 0.00 C ATOM 620 O GLY A 42 8.987 0.778 -3.128 1.00 0.00 O ATOM 0 H GLY A 42 10.142 -2.068 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.817 -0.846 -3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.637 -1.870 -4.536 1.00 0.00 H new ATOM 624 N LEU A 43 7.617 -1.005 -2.889 1.00 0.00 N ATOM 625 CA LEU A 43 6.471 -0.210 -2.483 1.00 0.00 C ATOM 626 C LEU A 43 6.936 0.909 -1.550 1.00 0.00 C ATOM 627 O LEU A 43 6.835 2.087 -1.889 1.00 0.00 O ATOM 628 CB LEU A 43 5.386 -1.104 -1.879 1.00 0.00 C ATOM 629 CG LEU A 43 4.004 -0.467 -1.720 1.00 0.00 C ATOM 630 CD1 LEU A 43 3.349 -0.229 -3.082 1.00 0.00 C ATOM 631 CD2 LEU A 43 3.117 -1.304 -0.796 1.00 0.00 C ATOM 0 H LEU A 43 7.446 -2.010 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 43 6.013 0.267 -3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.285 -1.992 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.724 -1.440 -0.899 1.00 0.00 H new ATOM 0 HG LEU A 43 4.130 0.508 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.368 0.224 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.975 0.438 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.237 -1.180 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.141 -0.829 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.995 -2.303 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.583 -1.378 0.187 1.00 0.00 H new ATOM 643 N GLN A 44 7.436 0.502 -0.393 1.00 0.00 N ATOM 644 CA GLN A 44 7.917 1.456 0.592 1.00 0.00 C ATOM 645 C GLN A 44 8.776 2.527 -0.082 1.00 0.00 C ATOM 646 O GLN A 44 8.722 3.698 0.292 1.00 0.00 O ATOM 647 CB GLN A 44 8.694 0.750 1.705 1.00 0.00 C ATOM 648 CG GLN A 44 9.975 0.114 1.161 1.00 0.00 C ATOM 649 CD GLN A 44 10.832 -0.450 2.296 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.344 -0.824 3.350 1.00 0.00 O ATOM 651 NE2 GLN A 44 12.133 -0.489 2.023 1.00 0.00 N ATOM 0 H GLN A 44 7.519 -0.476 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 44 7.055 1.943 1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.943 1.465 2.489 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.068 -0.017 2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.721 -0.683 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.546 0.857 0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.475 -0.160 1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.789 -0.848 2.717 1.00 0.00 H new ATOM 660 N GLU A 45 9.548 2.088 -1.065 1.00 0.00 N ATOM 661 CA GLU A 45 10.418 2.995 -1.795 1.00 0.00 C ATOM 662 C GLU A 45 9.594 3.882 -2.732 1.00 0.00 C ATOM 663 O GLU A 45 9.627 5.106 -2.622 1.00 0.00 O ATOM 664 CB GLU A 45 11.488 2.224 -2.571 1.00 0.00 C ATOM 665 CG GLU A 45 12.781 2.116 -1.761 1.00 0.00 C ATOM 666 CD GLU A 45 13.784 3.191 -2.183 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.374 3.021 -3.272 1.00 0.00 O ATOM 668 OE2 GLU A 45 13.937 4.160 -1.408 1.00 0.00 O ATOM 0 H GLU A 45 9.589 1.117 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 45 10.928 3.635 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.120 1.226 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.688 2.726 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.558 2.218 -0.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.221 1.128 -1.901 1.00 0.00 H new ATOM 675 N ALA A 46 8.874 3.228 -3.632 1.00 0.00 N ATOM 676 CA ALA A 46 8.043 3.942 -4.587 1.00 0.00 C ATOM 677 C ALA A 46 7.283 5.055 -3.863 1.00 0.00 C ATOM 678 O ALA A 46 7.449 6.232 -4.180 1.00 0.00 O ATOM 679 CB ALA A 46 7.106 2.955 -5.286 1.00 0.00 C ATOM 0 H ALA A 46 8.849 2.212 -3.720 1.00 0.00 H new ATOM 0 HA ALA A 46 8.657 4.409 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.483 3.490 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.695 2.202 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.472 2.469 -4.545 1.00 0.00 H new ATOM 685 N ILE A 47 6.466 4.644 -2.905 1.00 0.00 N ATOM 686 CA ILE A 47 5.680 5.592 -2.134 1.00 0.00 C ATOM 687 C ILE A 47 6.614 6.618 -1.491 1.00 0.00 C ATOM 688 O ILE A 47 6.409 7.823 -1.631 1.00 0.00 O ATOM 689 CB ILE A 47 4.789 4.857 -1.130 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.665 4.103 -1.843 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.250 5.819 -0.069 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.179 2.921 -1.002 1.00 0.00 C ATOM 0 H ILE A 47 6.331 3.667 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 47 5.001 6.143 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 47 5.397 4.115 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.834 4.781 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.019 3.745 -2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.620 5.272 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.083 6.271 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.662 6.600 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.380 2.402 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.006 2.233 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.804 3.285 -0.046 1.00 0.00 H new ATOM 704 N ASN A 48 7.621 6.104 -0.799 1.00 0.00 N ATOM 705 CA ASN A 48 8.587 6.961 -0.135 1.00 0.00 C ATOM 706 C ASN A 48 8.994 8.093 -1.080 1.00 0.00 C ATOM 707 O ASN A 48 8.953 9.264 -0.705 1.00 0.00 O ATOM 708 CB ASN A 48 9.850 6.182 0.239 1.00 0.00 C ATOM 709 CG ASN A 48 9.766 5.657 1.674 1.00 0.00 C ATOM 710 OD1 ASN A 48 9.117 6.229 2.534 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.456 4.540 1.883 1.00 0.00 N ATOM 0 H ASN A 48 7.788 5.104 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 48 8.123 7.352 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.984 5.348 -0.450 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.723 6.826 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.463 4.110 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.978 4.113 1.118 1.00 0.00 H new ATOM 718 N ASP A 49 9.376 7.705 -2.287 1.00 0.00 N ATOM 719 CA ASP A 49 9.790 8.673 -3.289 1.00 0.00 C ATOM 720 C ASP A 49 8.675 9.702 -3.488 1.00 0.00 C ATOM 721 O ASP A 49 8.946 10.890 -3.658 1.00 0.00 O ATOM 722 CB ASP A 49 10.052 7.994 -4.635 1.00 0.00 C ATOM 723 CG ASP A 49 11.008 8.747 -5.563 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.635 9.711 -5.072 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.090 8.342 -6.743 1.00 0.00 O ATOM 0 H ASP A 49 9.408 6.733 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 49 10.707 9.149 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.457 6.999 -4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.100 7.860 -5.149 1.00 0.00 H new ATOM 730 N LEU A 50 7.446 9.209 -3.459 1.00 0.00 N ATOM 731 CA LEU A 50 6.289 10.071 -3.634 1.00 0.00 C ATOM 732 C LEU A 50 6.083 10.903 -2.366 1.00 0.00 C ATOM 733 O LEU A 50 5.608 12.036 -2.433 1.00 0.00 O ATOM 734 CB LEU A 50 5.064 9.249 -4.037 1.00 0.00 C ATOM 735 CG LEU A 50 4.798 9.133 -5.539 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.871 7.955 -5.842 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.257 10.448 -6.103 1.00 0.00 C ATOM 0 H LEU A 50 7.226 8.223 -3.317 1.00 0.00 H new ATOM 0 HA LEU A 50 6.456 10.772 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.175 8.244 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.185 9.689 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 50 5.746 8.934 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.698 7.895 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.333 7.030 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.920 8.099 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.076 10.338 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.323 10.702 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.985 11.242 -5.938 1.00 0.00 H new ATOM 749 N VAL A 51 6.449 10.308 -1.241 1.00 0.00 N ATOM 750 CA VAL A 51 6.309 10.980 0.040 1.00 0.00 C ATOM 751 C VAL A 51 7.375 12.072 0.158 1.00 0.00 C ATOM 752 O VAL A 51 7.199 13.039 0.897 1.00 0.00 O ATOM 753 CB VAL A 51 6.373 9.958 1.177 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.421 10.654 2.539 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.199 8.980 1.102 1.00 0.00 C ATOM 0 H VAL A 51 6.842 9.368 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 51 5.336 11.466 0.111 1.00 0.00 H new ATOM 0 HB VAL A 51 7.294 9.386 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.466 9.905 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.304 11.290 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.527 11.264 2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.269 8.264 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.261 9.530 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.229 8.447 0.152 1.00 0.00 H new ATOM 765 N LYS A 52 8.456 11.881 -0.583 1.00 0.00 N ATOM 766 CA LYS A 52 9.550 12.837 -0.572 1.00 0.00 C ATOM 767 C LYS A 52 9.334 13.865 -1.684 1.00 0.00 C ATOM 768 O LYS A 52 9.707 15.029 -1.539 1.00 0.00 O ATOM 769 CB LYS A 52 10.895 12.114 -0.656 1.00 0.00 C ATOM 770 CG LYS A 52 11.128 11.243 0.581 1.00 0.00 C ATOM 771 CD LYS A 52 12.619 10.965 0.783 1.00 0.00 C ATOM 772 CE LYS A 52 12.856 10.139 2.048 1.00 0.00 C ATOM 773 NZ LYS A 52 14.279 9.746 2.152 1.00 0.00 N ATOM 0 H LYS A 52 8.598 11.078 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 52 9.568 13.385 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.923 11.494 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.699 12.844 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.725 11.742 1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.590 10.301 0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.014 10.433 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.162 11.907 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.567 10.717 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.227 9.249 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.422 9.186 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.543 9.177 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.873 10.599 2.190 1.00 0.00 H new ATOM 787 N LYS A 53 8.733 13.399 -2.769 1.00 0.00 N ATOM 788 CA LYS A 53 8.463 14.264 -3.905 1.00 0.00 C ATOM 789 C LYS A 53 7.381 15.276 -3.524 1.00 0.00 C ATOM 790 O LYS A 53 7.198 16.281 -4.209 1.00 0.00 O ATOM 791 CB LYS A 53 8.119 13.432 -5.142 1.00 0.00 C ATOM 792 CG LYS A 53 9.386 12.901 -5.816 1.00 0.00 C ATOM 793 CD LYS A 53 9.400 13.246 -7.306 1.00 0.00 C ATOM 794 CE LYS A 53 8.121 12.761 -7.993 1.00 0.00 C ATOM 795 NZ LYS A 53 7.676 13.740 -9.009 1.00 0.00 N ATOM 0 H LYS A 53 8.425 12.433 -2.886 1.00 0.00 H new ATOM 0 HA LYS A 53 9.354 14.834 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.478 12.598 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.555 14.041 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.265 13.327 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.444 11.820 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.499 14.324 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.268 12.789 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.298 11.794 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.336 12.615 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.807 13.396 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.487 14.654 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.420 13.859 -9.726 1.00 0.00 H new ATOM 809 N TYR A 54 6.693 14.976 -2.433 1.00 0.00 N ATOM 810 CA TYR A 54 5.634 15.847 -1.952 1.00 0.00 C ATOM 811 C TYR A 54 6.104 16.672 -0.752 1.00 0.00 C ATOM 812 O TYR A 54 7.186 16.436 -0.218 1.00 0.00 O ATOM 813 CB TYR A 54 4.497 14.925 -1.508 1.00 0.00 C ATOM 814 CG TYR A 54 3.620 14.421 -2.656 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.203 13.943 -3.812 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.245 14.445 -2.535 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.377 13.469 -4.892 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.419 13.971 -3.615 1.00 0.00 C ATOM 819 CZ TYR A 54 2.026 13.506 -4.740 1.00 0.00 C ATOM 820 OH TYR A 54 1.246 13.059 -5.761 1.00 0.00 O ATOM 0 H TYR A 54 6.848 14.141 -1.868 1.00 0.00 H new ATOM 0 HA TYR A 54 5.327 16.543 -2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.921 14.068 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.870 15.457 -0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.279 13.924 -3.907 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.789 14.819 -1.630 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.820 13.093 -5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.342 13.984 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 54 0.332 12.918 -5.437 1.00 0.00 H new ATOM 830 N THR A 55 5.267 17.623 -0.364 1.00 0.00 N ATOM 831 CA THR A 55 5.583 18.483 0.763 1.00 0.00 C ATOM 832 C THR A 55 4.965 17.929 2.048 1.00 0.00 C ATOM 833 O THR A 55 3.743 17.858 2.173 1.00 0.00 O ATOM 834 CB THR A 55 5.112 19.899 0.424 1.00 0.00 C ATOM 835 OG1 THR A 55 6.232 20.490 -0.230 1.00 0.00 O ATOM 836 CG2 THR A 55 4.909 20.763 1.670 1.00 0.00 C ATOM 0 H THR A 55 4.370 17.817 -0.810 1.00 0.00 H new ATOM 0 HA THR A 55 6.657 18.516 0.945 1.00 0.00 H new ATOM 0 HB THR A 55 4.179 19.846 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.013 21.410 -0.486 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.575 21.757 1.373 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.157 20.304 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.850 20.844 2.214 1.00 0.00 H new ATOM 844 N LEU A 56 5.836 17.550 2.971 1.00 0.00 N ATOM 845 CA LEU A 56 5.391 17.004 4.242 1.00 0.00 C ATOM 846 C LEU A 56 4.224 16.045 3.999 1.00 0.00 C ATOM 847 O LEU A 56 3.105 16.299 4.443 1.00 0.00 O ATOM 848 CB LEU A 56 5.067 18.131 5.225 1.00 0.00 C ATOM 849 CG LEU A 56 6.252 18.985 5.680 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.563 18.205 5.575 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.306 20.304 4.907 1.00 0.00 C ATOM 0 H LEU A 56 6.849 17.610 2.864 1.00 0.00 H new ATOM 0 HA LEU A 56 6.188 16.425 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.328 18.787 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.600 17.694 6.107 1.00 0.00 H new ATOM 0 HG LEU A 56 6.109 19.234 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.389 18.835 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.510 17.318 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.726 17.905 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.157 20.892 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.413 20.098 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.386 20.864 5.078 1.00 0.00 H new ATOM 863 N ALA A 57 4.525 14.964 3.295 1.00 0.00 N ATOM 864 CA ALA A 57 3.515 13.966 2.988 1.00 0.00 C ATOM 865 C ALA A 57 3.797 12.696 3.794 1.00 0.00 C ATOM 866 O ALA A 57 4.880 12.541 4.356 1.00 0.00 O ATOM 867 CB ALA A 57 3.495 13.707 1.480 1.00 0.00 C ATOM 0 H ALA A 57 5.454 14.757 2.928 1.00 0.00 H new ATOM 0 HA ALA A 57 2.525 14.323 3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.737 12.958 1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.262 14.633 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.472 13.345 1.160 1.00 0.00 H new ATOM 873 N ARG A 58 2.803 11.820 3.825 1.00 0.00 N ATOM 874 CA ARG A 58 2.931 10.569 4.553 1.00 0.00 C ATOM 875 C ARG A 58 1.851 9.582 4.106 1.00 0.00 C ATOM 876 O ARG A 58 0.666 9.913 4.100 1.00 0.00 O ATOM 877 CB ARG A 58 2.812 10.795 6.062 1.00 0.00 C ATOM 878 CG ARG A 58 4.178 10.690 6.742 1.00 0.00 C ATOM 879 CD ARG A 58 4.624 12.047 7.289 1.00 0.00 C ATOM 880 NE ARG A 58 4.621 12.022 8.769 1.00 0.00 N ATOM 881 CZ ARG A 58 5.481 11.310 9.510 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.419 10.561 8.914 1.00 0.00 N ATOM 883 NH2 ARG A 58 5.404 11.348 10.847 1.00 0.00 N ATOM 0 H ARG A 58 1.906 11.952 3.358 1.00 0.00 H new ATOM 0 HA ARG A 58 3.917 10.158 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.381 11.778 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.131 10.060 6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.129 9.965 7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.916 10.321 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.623 12.285 6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.957 12.830 6.929 1.00 0.00 H new ATOM 0 HE ARG A 58 3.921 12.582 9.255 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.478 10.533 7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.074 10.019 9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.691 11.919 11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.059 10.806 11.411 1.00 0.00 H new ATOM 897 N ALA A 59 2.299 8.390 3.742 1.00 0.00 N ATOM 898 CA ALA A 59 1.385 7.352 3.293 1.00 0.00 C ATOM 899 C ALA A 59 1.657 6.066 4.077 1.00 0.00 C ATOM 900 O ALA A 59 2.781 5.828 4.515 1.00 0.00 O ATOM 901 CB ALA A 59 1.535 7.157 1.783 1.00 0.00 C ATOM 0 H ALA A 59 3.282 8.119 3.749 1.00 0.00 H new ATOM 0 HA ALA A 59 0.352 7.642 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.850 6.379 1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.303 8.091 1.271 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.559 6.862 1.554 1.00 0.00 H new ATOM 907 N PHE A 60 0.608 5.272 4.230 1.00 0.00 N ATOM 908 CA PHE A 60 0.719 4.017 4.953 1.00 0.00 C ATOM 909 C PHE A 60 -0.302 2.998 4.443 1.00 0.00 C ATOM 910 O PHE A 60 -1.159 3.329 3.625 1.00 0.00 O ATOM 911 CB PHE A 60 0.428 4.320 6.424 1.00 0.00 C ATOM 912 CG PHE A 60 1.592 4.982 7.165 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.765 4.313 7.324 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.453 6.240 7.664 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.845 4.927 8.012 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.533 6.854 8.352 1.00 0.00 C ATOM 917 CZ PHE A 60 3.706 6.185 8.511 1.00 0.00 C ATOM 0 H PHE A 60 -0.323 5.473 3.866 1.00 0.00 H new ATOM 0 HA PHE A 60 1.714 3.595 4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.445 4.970 6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.169 3.391 6.931 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.875 3.315 6.927 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.522 6.772 7.537 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.776 4.395 8.139 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.423 7.852 8.749 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.528 6.652 9.034 1.00 0.00 H new ATOM 927 N VAL A 61 -0.177 1.779 4.948 1.00 0.00 N ATOM 928 CA VAL A 61 -1.079 0.710 4.554 1.00 0.00 C ATOM 929 C VAL A 61 -1.109 -0.356 5.651 1.00 0.00 C ATOM 930 O VAL A 61 -0.107 -0.584 6.327 1.00 0.00 O ATOM 931 CB VAL A 61 -0.666 0.153 3.190 1.00 0.00 C ATOM 932 CG1 VAL A 61 -1.126 1.075 2.059 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.845 -0.080 3.127 1.00 0.00 C ATOM 0 H VAL A 61 0.535 1.508 5.626 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.095 1.089 4.441 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.159 -0.810 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.820 0.656 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.212 1.168 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.675 2.059 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.112 -0.476 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.366 0.863 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.136 -0.794 3.898 1.00 0.00 H new ATOM 943 N ARG A 62 -2.268 -0.982 5.792 1.00 0.00 N ATOM 944 CA ARG A 62 -2.441 -2.019 6.795 1.00 0.00 C ATOM 945 C ARG A 62 -3.148 -3.232 6.188 1.00 0.00 C ATOM 946 O ARG A 62 -4.299 -3.138 5.766 1.00 0.00 O ATOM 947 CB ARG A 62 -3.257 -1.505 7.984 1.00 0.00 C ATOM 948 CG ARG A 62 -2.382 -1.370 9.232 1.00 0.00 C ATOM 949 CD ARG A 62 -3.162 -0.730 10.382 1.00 0.00 C ATOM 950 NE ARG A 62 -2.236 0.000 11.277 1.00 0.00 N ATOM 951 CZ ARG A 62 -1.796 1.244 11.048 1.00 0.00 C ATOM 952 NH1 ARG A 62 -2.193 1.905 9.953 1.00 0.00 N ATOM 953 NH2 ARG A 62 -0.957 1.828 11.915 1.00 0.00 N ATOM 0 H ARG A 62 -3.096 -0.791 5.228 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.451 -2.309 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.697 -0.539 7.737 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.082 -2.188 8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.021 -2.353 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.505 -0.765 9.002 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.913 -0.046 9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.694 -1.498 10.944 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.913 -0.474 12.120 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.831 1.461 9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.857 2.852 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.654 1.325 12.749 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.622 2.775 11.741 1.00 0.00 H new ATOM 967 N PRO A 63 -2.409 -4.374 6.162 1.00 0.00 N ATOM 968 CA PRO A 63 -2.952 -5.605 5.613 1.00 0.00 C ATOM 969 C PRO A 63 -3.959 -6.237 6.576 1.00 0.00 C ATOM 970 O PRO A 63 -4.455 -5.573 7.485 1.00 0.00 O ATOM 971 CB PRO A 63 -1.743 -6.488 5.354 1.00 0.00 C ATOM 972 CG PRO A 63 -0.616 -5.908 6.193 1.00 0.00 C ATOM 973 CD PRO A 63 -1.042 -4.523 6.652 1.00 0.00 C ATOM 0 HA PRO A 63 -3.514 -5.443 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.947 -7.521 5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.481 -6.491 4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.410 -6.548 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.303 -5.851 5.610 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.999 -4.435 7.738 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.389 -3.752 6.243 1.00 0.00 H new ATOM 981 N SER A 64 -4.231 -7.513 6.343 1.00 0.00 N ATOM 982 CA SER A 64 -5.170 -8.242 7.179 1.00 0.00 C ATOM 983 C SER A 64 -5.001 -7.826 8.641 1.00 0.00 C ATOM 984 O SER A 64 -3.904 -7.468 9.066 1.00 0.00 O ATOM 985 CB SER A 64 -4.980 -9.753 7.031 1.00 0.00 C ATOM 986 OG SER A 64 -6.087 -10.484 7.552 1.00 0.00 O ATOM 0 H SER A 64 -3.818 -8.060 5.588 1.00 0.00 H new ATOM 0 HA SER A 64 -6.181 -7.997 6.853 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.846 -10.000 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.070 -10.056 7.548 1.00 0.00 H new ATOM 0 HG SER A 64 -5.928 -11.444 7.437 1.00 0.00 H new ATOM 992 N GLY A 65 -6.105 -7.888 9.372 1.00 0.00 N ATOM 993 CA GLY A 65 -6.093 -7.523 10.778 1.00 0.00 C ATOM 994 C GLY A 65 -7.514 -7.308 11.301 1.00 0.00 C ATOM 995 O GLY A 65 -8.098 -6.244 11.104 1.00 0.00 O ATOM 0 H GLY A 65 -7.013 -8.186 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.603 -8.306 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.509 -6.613 10.916 1.00 0.00 H new ATOM 999 N THR A 66 -8.030 -8.337 11.958 1.00 0.00 N ATOM 1000 CA THR A 66 -9.373 -8.274 12.511 1.00 0.00 C ATOM 1001 C THR A 66 -10.400 -8.069 11.395 1.00 0.00 C ATOM 1002 O THR A 66 -11.552 -7.733 11.662 1.00 0.00 O ATOM 1003 CB THR A 66 -9.397 -7.171 13.570 1.00 0.00 C ATOM 1004 OG1 THR A 66 -8.095 -7.215 14.147 1.00 0.00 O ATOM 1005 CG2 THR A 66 -10.333 -7.498 14.735 1.00 0.00 C ATOM 0 H THR A 66 -7.543 -9.218 12.120 1.00 0.00 H new ATOM 0 HA THR A 66 -9.647 -9.212 12.993 1.00 0.00 H new ATOM 0 HB THR A 66 -9.706 -6.233 13.109 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.023 -6.530 14.844 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.313 -6.683 15.458 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.349 -7.626 14.361 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.006 -8.419 15.217 1.00 0.00 H new ATOM 1013 N GLU A 67 -9.944 -8.280 10.169 1.00 0.00 N ATOM 1014 CA GLU A 67 -10.809 -8.122 9.012 1.00 0.00 C ATOM 1015 C GLU A 67 -10.214 -8.845 7.802 1.00 0.00 C ATOM 1016 O GLU A 67 -9.214 -9.549 7.926 1.00 0.00 O ATOM 1017 CB GLU A 67 -11.049 -6.643 8.704 1.00 0.00 C ATOM 1018 CG GLU A 67 -12.430 -6.198 9.190 1.00 0.00 C ATOM 1019 CD GLU A 67 -13.012 -5.120 8.273 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -12.676 -3.938 8.503 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -13.780 -5.502 7.364 1.00 0.00 O ATOM 0 H GLU A 67 -8.987 -8.559 9.952 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.775 -8.572 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.279 -6.039 9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.965 -6.473 7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.102 -7.055 9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.355 -5.814 10.207 1.00 0.00 H new ATOM 1028 N ASP A 68 -10.855 -8.645 6.660 1.00 0.00 N ATOM 1029 CA ASP A 68 -10.401 -9.268 5.428 1.00 0.00 C ATOM 1030 C ASP A 68 -10.258 -8.199 4.343 1.00 0.00 C ATOM 1031 O ASP A 68 -10.354 -8.500 3.154 1.00 0.00 O ATOM 1032 CB ASP A 68 -11.407 -10.310 4.935 1.00 0.00 C ATOM 1033 CG ASP A 68 -12.855 -9.822 4.851 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -13.514 -9.814 5.913 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -13.270 -9.468 3.727 1.00 0.00 O ATOM 0 H ASP A 68 -11.685 -8.060 6.562 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.446 -9.754 5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.097 -10.653 3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.368 -11.173 5.599 1.00 0.00 H new ATOM 1040 N ILE A 69 -10.029 -6.974 4.791 1.00 0.00 N ATOM 1041 CA ILE A 69 -9.871 -5.859 3.873 1.00 0.00 C ATOM 1042 C ILE A 69 -8.576 -5.113 4.201 1.00 0.00 C ATOM 1043 O ILE A 69 -8.149 -5.080 5.355 1.00 0.00 O ATOM 1044 CB ILE A 69 -11.115 -4.968 3.893 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -12.382 -5.791 3.651 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -10.981 -3.816 2.895 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -13.636 -4.975 3.973 1.00 0.00 C ATOM 0 H ILE A 69 -9.949 -6.729 5.778 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.781 -6.220 2.848 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.202 -4.526 4.885 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.414 -6.119 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.360 -6.689 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.879 -3.198 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -10.113 -3.210 3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.856 -4.218 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.522 -5.583 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.613 -4.669 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.668 -4.090 3.337 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.987 -4.532 3.166 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.749 -3.789 3.330 1.00 0.00 C ATOM 1061 C VAL A 70 -7.073 -2.349 3.731 1.00 0.00 C ATOM 1062 O VAL A 70 -8.093 -1.800 3.317 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.911 -3.880 2.053 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.939 -2.703 1.950 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.166 -5.214 1.981 1.00 0.00 C ATOM 0 H VAL A 70 -8.344 -4.561 2.211 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.147 -4.221 4.129 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.590 -3.829 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.356 -2.792 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.500 -1.768 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.268 -2.709 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.578 -5.253 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.503 -5.308 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.885 -6.033 1.986 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.186 -1.777 4.533 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.366 -0.411 4.994 1.00 0.00 C ATOM 1077 C ARG A 71 -5.356 0.516 4.313 1.00 0.00 C ATOM 1078 O ARG A 71 -4.181 0.174 4.188 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.194 -0.315 6.511 1.00 0.00 C ATOM 1080 CG ARG A 71 -5.815 1.107 6.931 1.00 0.00 C ATOM 1081 CD ARG A 71 -5.753 1.230 8.455 1.00 0.00 C ATOM 1082 NE ARG A 71 -6.566 2.383 8.903 1.00 0.00 N ATOM 1083 CZ ARG A 71 -7.899 2.356 9.035 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.578 1.236 8.754 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -8.554 3.450 9.447 1.00 0.00 N ATOM 0 H ARG A 71 -5.341 -2.235 4.875 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.379 -0.104 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.120 -0.609 7.005 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.423 -1.012 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.849 1.372 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.544 1.814 6.535 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.120 0.314 8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.719 1.357 8.776 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.081 3.252 9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.080 0.403 8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.593 1.216 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.038 4.303 9.660 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.569 3.429 9.547 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.851 1.670 3.892 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.007 2.648 3.227 1.00 0.00 C ATOM 1101 C VAL A 72 -5.189 4.012 3.897 1.00 0.00 C ATOM 1102 O VAL A 72 -6.285 4.345 4.346 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.314 2.673 1.729 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.782 3.953 1.081 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.751 1.432 1.033 1.00 0.00 C ATOM 0 H VAL A 72 -6.826 1.950 3.998 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.956 2.375 3.325 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.397 2.662 1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.014 3.945 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.251 4.819 1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.702 4.008 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.983 1.475 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.670 1.398 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.198 0.537 1.466 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.099 4.763 3.943 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.125 6.083 4.551 1.00 0.00 C ATOM 1117 C TYR A 73 -2.961 6.940 4.050 1.00 0.00 C ATOM 1118 O TYR A 73 -1.829 6.467 3.965 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.966 5.858 6.055 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.370 7.060 6.911 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.535 7.746 6.631 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.570 7.460 7.962 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.916 8.877 7.436 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.951 8.591 8.767 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.104 9.244 8.464 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.464 10.313 9.225 1.00 0.00 O ATOM 0 H TYR A 73 -3.192 4.483 3.569 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.050 6.602 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.567 4.998 6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.926 5.608 6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.161 7.434 5.808 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.658 6.924 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.825 9.422 7.229 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.335 8.913 9.593 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.791 10.459 9.922 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.279 8.186 3.731 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.274 9.114 3.241 1.00 0.00 C ATOM 1138 C ALA A 74 -2.603 10.524 3.735 1.00 0.00 C ATOM 1139 O ALA A 74 -3.753 10.957 3.667 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.205 9.032 1.715 1.00 0.00 C ATOM 0 H ALA A 74 -4.219 8.575 3.802 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.289 8.852 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.451 9.728 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.939 8.018 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.176 9.292 1.292 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.574 11.202 4.221 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.739 12.554 4.726 1.00 0.00 C ATOM 1148 C GLU A 75 -0.678 13.478 4.125 1.00 0.00 C ATOM 1149 O GLU A 75 0.248 13.017 3.459 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.685 12.579 6.255 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.272 12.282 6.758 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.113 12.695 8.223 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.559 11.909 9.086 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.450 13.788 8.446 1.00 0.00 O ATOM 0 H GLU A 75 -0.622 10.840 4.276 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.722 12.916 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.006 13.555 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.381 11.844 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.060 11.218 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.455 12.815 6.145 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.849 14.767 4.381 1.00 0.00 N ATOM 1162 CA ALA A 76 0.083 15.761 3.874 1.00 0.00 C ATOM 1163 C ALA A 76 -0.225 17.115 4.515 1.00 0.00 C ATOM 1164 O ALA A 76 -1.222 17.261 5.219 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.001 15.806 2.347 1.00 0.00 C ATOM 0 H ALA A 76 -1.619 15.146 4.933 1.00 0.00 H new ATOM 0 HA ALA A 76 1.107 15.497 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.697 16.551 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.254 14.828 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.014 16.071 2.046 1.00 0.00 H new ATOM 1171 N ASN A 77 0.652 18.073 4.248 1.00 0.00 N ATOM 1172 CA ASN A 77 0.486 19.411 4.790 1.00 0.00 C ATOM 1173 C ASN A 77 -0.729 20.074 4.139 1.00 0.00 C ATOM 1174 O ASN A 77 -1.377 20.924 4.747 1.00 0.00 O ATOM 1175 CB ASN A 77 1.712 20.279 4.496 1.00 0.00 C ATOM 1176 CG ASN A 77 1.516 21.701 5.027 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.597 21.991 5.775 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.429 22.568 4.599 1.00 0.00 N ATOM 0 H ASN A 77 1.479 17.949 3.664 1.00 0.00 H new ATOM 0 HA ASN A 77 0.354 19.324 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.595 19.834 4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.891 20.310 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.386 23.543 4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.173 22.258 3.973 1.00 0.00 H new ATOM 1185 N SER A 78 -1.002 19.660 2.910 1.00 0.00 N ATOM 1186 CA SER A 78 -2.128 20.202 2.170 1.00 0.00 C ATOM 1187 C SER A 78 -3.189 19.119 1.962 1.00 0.00 C ATOM 1188 O SER A 78 -2.860 17.941 1.832 1.00 0.00 O ATOM 1189 CB SER A 78 -1.679 20.772 0.823 1.00 0.00 C ATOM 1190 OG SER A 78 -0.301 21.135 0.829 1.00 0.00 O ATOM 0 H SER A 78 -0.462 18.955 2.408 1.00 0.00 H new ATOM 0 HA SER A 78 -2.559 21.016 2.752 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.856 20.034 0.040 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.283 21.646 0.580 1.00 0.00 H new ATOM 0 HG SER A 78 -0.053 21.493 -0.049 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.439 19.557 1.936 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.549 18.640 1.745 1.00 0.00 C ATOM 1198 C GLN A 79 -5.392 17.883 0.425 1.00 0.00 C ATOM 1199 O GLN A 79 -5.608 16.673 0.369 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.887 19.380 1.797 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.053 20.121 3.126 1.00 0.00 C ATOM 1202 CD GLN A 79 -8.238 21.087 3.070 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.391 20.703 3.189 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -7.893 22.357 2.884 1.00 0.00 N ATOM 0 H GLN A 79 -4.707 20.535 2.044 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.540 17.916 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.947 20.089 0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.704 18.670 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.203 19.402 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.141 20.672 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.909 22.610 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.612 23.079 2.833 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.017 18.626 -0.605 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.828 18.041 -1.922 1.00 0.00 C ATOM 1215 C GLU A 80 -3.815 16.895 -1.853 1.00 0.00 C ATOM 1216 O GLU A 80 -4.153 15.746 -2.133 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.390 19.099 -2.935 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.374 19.179 -4.104 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.173 18.010 -5.071 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -5.679 16.914 -4.748 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.517 18.239 -6.110 1.00 0.00 O ATOM 0 H GLU A 80 -4.839 19.629 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.783 17.637 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.322 20.070 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.394 18.860 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.396 19.170 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.238 20.122 -4.634 1.00 0.00 H new ATOM 1228 N SER A 81 -2.595 17.249 -1.479 1.00 0.00 N ATOM 1229 CA SER A 81 -1.531 16.265 -1.370 1.00 0.00 C ATOM 1230 C SER A 81 -2.017 15.056 -0.568 1.00 0.00 C ATOM 1231 O SER A 81 -1.650 13.921 -0.867 1.00 0.00 O ATOM 1232 CB SER A 81 -0.286 16.870 -0.716 1.00 0.00 C ATOM 1233 OG SER A 81 -0.606 17.988 0.108 1.00 0.00 O ATOM 0 H SER A 81 -2.319 18.203 -1.248 1.00 0.00 H new ATOM 0 HA SER A 81 -1.260 15.942 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.215 16.109 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.416 17.179 -1.490 1.00 0.00 H new ATOM 0 HG SER A 81 -1.384 17.773 0.664 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.835 15.341 0.435 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.374 14.291 1.282 1.00 0.00 C ATOM 1241 C ALA A 82 -4.302 13.400 0.453 1.00 0.00 C ATOM 1242 O ALA A 82 -4.246 12.175 0.553 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.087 14.918 2.482 1.00 0.00 C ATOM 0 H ALA A 82 -3.137 16.284 0.680 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.573 13.662 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.491 14.130 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.379 15.517 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.900 15.554 2.131 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.135 14.050 -0.347 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.074 13.332 -1.192 1.00 0.00 C ATOM 1251 C ASP A 83 -5.310 12.647 -2.327 1.00 0.00 C ATOM 1252 O ASP A 83 -5.347 11.424 -2.455 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.094 14.286 -1.817 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.515 15.456 -0.925 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.743 15.200 0.277 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -7.600 16.580 -1.466 1.00 0.00 O ATOM 0 H ASP A 83 -5.179 15.066 -0.428 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.596 12.602 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.677 14.685 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.983 13.717 -2.088 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.637 13.465 -3.123 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.866 12.953 -4.243 1.00 0.00 C ATOM 1263 C ARG A 84 -3.124 11.677 -3.838 1.00 0.00 C ATOM 1264 O ARG A 84 -3.372 10.608 -4.393 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.854 13.989 -4.735 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.147 14.399 -6.180 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.262 13.625 -7.159 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.329 14.247 -8.501 1.00 0.00 N ATOM 1269 CZ ARG A 84 -1.601 13.845 -9.552 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -0.747 12.821 -9.423 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.727 14.468 -10.731 1.00 0.00 N ATOM 0 H ARG A 84 -4.610 14.479 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.563 12.731 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.885 14.868 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.846 13.579 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.197 14.214 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.978 15.469 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.232 13.618 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.588 12.586 -7.214 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.969 15.030 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.651 12.347 -8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.193 12.515 -10.223 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.377 15.248 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.173 14.162 -11.531 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.228 11.833 -2.875 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.448 10.708 -2.389 1.00 0.00 C ATOM 1287 C LEU A 85 -2.389 9.552 -2.043 1.00 0.00 C ATOM 1288 O LEU A 85 -2.224 8.441 -2.543 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.551 11.139 -1.228 1.00 0.00 C ATOM 1290 CG LEU A 85 0.741 10.340 -1.045 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.681 10.538 -2.236 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.418 10.686 0.282 1.00 0.00 C ATOM 0 H LEU A 85 -2.025 12.722 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.773 10.349 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.289 12.188 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.128 11.074 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 85 0.485 9.281 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.592 9.959 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.188 10.202 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.934 11.594 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.334 10.104 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.660 11.749 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.744 10.452 1.106 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.356 9.854 -1.189 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.324 8.855 -0.769 1.00 0.00 C ATOM 1306 C ALA A 86 -4.839 8.103 -1.998 1.00 0.00 C ATOM 1307 O ALA A 86 -4.516 6.933 -2.196 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.449 9.531 0.015 1.00 0.00 C ATOM 0 H ALA A 86 -3.490 10.777 -0.776 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.859 8.125 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.175 8.781 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.034 10.026 0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.941 10.269 -0.618 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.633 8.807 -2.793 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.197 8.221 -3.997 1.00 0.00 C ATOM 1316 C TYR A 87 -5.152 7.387 -4.741 1.00 0.00 C ATOM 1317 O TYR A 87 -5.426 6.256 -5.141 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.617 9.397 -4.881 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.618 9.081 -6.378 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.653 8.353 -6.928 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.584 9.524 -7.178 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.655 8.055 -8.337 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.586 9.226 -8.587 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.621 8.506 -9.097 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.622 8.225 -10.427 1.00 0.00 O ATOM 0 H TYR A 87 -5.899 9.778 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.031 7.564 -3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.616 9.720 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.944 10.235 -4.697 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.462 8.007 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -4.774 10.094 -6.747 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.459 7.486 -8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.783 9.567 -9.224 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.823 8.611 -10.843 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.977 7.976 -4.904 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.890 7.301 -5.593 1.00 0.00 C ATOM 1337 C GLU A 88 -2.549 5.987 -4.887 1.00 0.00 C ATOM 1338 O GLU A 88 -2.697 4.911 -5.465 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.660 8.204 -5.694 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.822 9.228 -6.820 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.574 9.272 -7.705 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.245 8.210 -8.275 1.00 0.00 O ATOM 1343 OE2 GLU A 88 0.022 10.367 -7.790 1.00 0.00 O ATOM 0 H GLU A 88 -3.753 8.914 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.216 7.072 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.505 8.721 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.773 7.597 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.692 8.974 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.006 10.215 -6.395 1.00 0.00 H new ATOM 1350 N VAL A 89 -2.099 6.117 -3.648 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.736 4.954 -2.857 1.00 0.00 C ATOM 1352 C VAL A 89 -2.752 3.837 -3.105 1.00 0.00 C ATOM 1353 O VAL A 89 -2.404 2.784 -3.637 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.620 5.339 -1.381 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.480 4.097 -0.499 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.455 6.305 -1.157 1.00 0.00 C ATOM 0 H VAL A 89 -1.977 7.011 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.758 4.578 -3.158 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.539 5.850 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.399 4.399 0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.355 3.460 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.585 3.545 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.394 6.563 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.476 5.831 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.615 7.210 -1.743 1.00 0.00 H new ATOM 1366 N SER A 90 -3.987 4.105 -2.708 1.00 0.00 N ATOM 1367 CA SER A 90 -5.056 3.135 -2.881 1.00 0.00 C ATOM 1368 C SER A 90 -4.922 2.446 -4.240 1.00 0.00 C ATOM 1369 O SER A 90 -4.994 1.221 -4.329 1.00 0.00 O ATOM 1370 CB SER A 90 -6.428 3.800 -2.755 1.00 0.00 C ATOM 1371 OG SER A 90 -6.429 5.126 -3.276 1.00 0.00 O ATOM 0 H SER A 90 -4.272 4.980 -2.267 1.00 0.00 H new ATOM 0 HA SER A 90 -4.971 2.387 -2.092 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.170 3.202 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.725 3.822 -1.706 1.00 0.00 H new ATOM 0 HG SER A 90 -6.139 5.110 -4.212 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.731 3.263 -5.266 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.587 2.747 -6.617 1.00 0.00 C ATOM 1379 C LEU A 91 -3.293 1.935 -6.713 1.00 0.00 C ATOM 1380 O LEU A 91 -3.302 0.800 -7.185 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.678 3.883 -7.637 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.054 4.113 -8.265 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.459 5.585 -8.174 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.093 3.595 -9.704 1.00 0.00 C ATOM 0 H LEU A 91 -4.673 4.278 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.407 2.070 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.364 4.807 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.964 3.684 -8.437 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.789 3.542 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.441 5.721 -8.628 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.498 5.888 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.728 6.197 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.082 3.771 -10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.345 4.119 -10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.880 2.526 -9.712 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.212 2.550 -6.257 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.913 1.899 -6.286 1.00 0.00 C ATOM 1398 C LEU A 92 -1.056 0.463 -5.779 1.00 0.00 C ATOM 1399 O LEU A 92 -0.374 -0.440 -6.261 1.00 0.00 O ATOM 1400 CB LEU A 92 0.117 2.725 -5.513 1.00 0.00 C ATOM 1401 CG LEU A 92 0.163 4.219 -5.841 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.557 4.794 -5.585 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.311 4.480 -7.272 1.00 0.00 C ATOM 0 H LEU A 92 -2.209 3.492 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.538 1.841 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.083 2.613 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.105 2.302 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.526 4.737 -5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.562 5.857 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.819 4.659 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.284 4.277 -6.211 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.269 5.549 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.334 3.948 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.337 4.129 -7.385 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.947 0.296 -4.812 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.188 -1.015 -4.234 1.00 0.00 C ATOM 1417 C VAL A 93 -3.042 -1.842 -5.197 1.00 0.00 C ATOM 1418 O VAL A 93 -2.676 -2.962 -5.552 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.820 -0.868 -2.849 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.676 -2.159 -2.041 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.220 0.321 -2.095 1.00 0.00 C ATOM 0 H VAL A 93 -2.511 1.047 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.248 -1.549 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.884 -0.675 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.134 -2.028 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.173 -2.975 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.619 -2.396 -1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.687 0.403 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.147 0.172 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.398 1.237 -2.659 1.00 0.00 H new ATOM 1431 N PHE A 94 -4.164 -1.260 -5.592 1.00 0.00 N ATOM 1432 CA PHE A 94 -5.074 -1.929 -6.506 1.00 0.00 C ATOM 1433 C PHE A 94 -4.302 -2.722 -7.563 1.00 0.00 C ATOM 1434 O PHE A 94 -4.754 -3.778 -8.005 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.893 -0.840 -7.200 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.903 -1.374 -8.218 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.466 -1.944 -9.374 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.236 -1.278 -7.968 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.403 -2.439 -10.319 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.173 -1.774 -8.913 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.737 -2.344 -10.068 1.00 0.00 C ATOM 0 H PHE A 94 -4.464 -0.331 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.708 -2.626 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.425 -0.263 -6.444 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.213 -0.154 -7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.407 -2.020 -9.572 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.582 -0.825 -7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.057 -2.891 -11.237 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.232 -1.698 -8.714 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.450 -2.721 -10.786 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.152 -2.183 -7.939 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.314 -2.827 -8.936 1.00 0.00 C ATOM 1453 C GLN A 95 -1.243 -3.683 -8.256 1.00 0.00 C ATOM 1454 O GLN A 95 -1.143 -4.881 -8.517 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.679 -1.794 -9.869 1.00 0.00 C ATOM 1456 CG GLN A 95 -2.594 -1.494 -11.058 1.00 0.00 C ATOM 1457 CD GLN A 95 -1.914 -1.860 -12.379 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -2.023 -2.969 -12.877 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -1.209 -0.869 -12.917 1.00 0.00 N ATOM 0 H GLN A 95 -2.781 -1.307 -7.571 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.942 -3.479 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.480 -0.875 -9.318 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.719 -2.165 -10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -3.524 -2.054 -10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.857 -0.436 -11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.159 0.035 -12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.718 -1.013 -13.799 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.469 -3.034 -7.398 1.00 0.00 N ATOM 1469 CA LEU A 96 0.591 -3.721 -6.679 1.00 0.00 C ATOM 1470 C LEU A 96 0.047 -5.031 -6.107 1.00 0.00 C ATOM 1471 O LEU A 96 0.557 -6.107 -6.415 1.00 0.00 O ATOM 1472 CB LEU A 96 1.208 -2.799 -5.626 1.00 0.00 C ATOM 1473 CG LEU A 96 2.516 -3.282 -4.995 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.701 -2.445 -5.481 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.414 -3.301 -3.469 1.00 0.00 C ATOM 0 H LEU A 96 -0.555 -2.040 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 96 1.404 -3.982 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.386 -1.826 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.478 -2.649 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 96 2.693 -4.308 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.618 -2.809 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.785 -2.527 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.546 -1.401 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.357 -3.648 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.201 -2.295 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.611 -3.973 -3.166 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.982 -4.898 -5.283 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.601 -6.058 -4.665 1.00 0.00 C ATOM 1489 C ALA A 97 -2.857 -6.440 -5.450 1.00 0.00 C ATOM 1490 O ALA A 97 -3.791 -7.017 -4.894 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.902 -5.754 -3.196 1.00 0.00 C ATOM 0 H ALA A 97 -1.403 -4.004 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.925 -6.912 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.366 -6.624 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.974 -5.518 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.581 -4.903 -3.132 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.840 -6.104 -6.732 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.966 -6.405 -7.600 1.00 0.00 C ATOM 1499 C GLY A 98 -5.293 -6.204 -6.865 1.00 0.00 C ATOM 1500 O GLY A 98 -6.246 -6.952 -7.081 1.00 0.00 O ATOM 0 H GLY A 98 -2.064 -5.626 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.933 -5.763 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.893 -7.434 -7.952 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.314 -5.190 -6.013 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.508 -4.881 -5.245 1.00 0.00 C ATOM 1506 C GLY A 99 -7.673 -4.515 -6.167 1.00 0.00 C ATOM 1507 O GLY A 99 -7.475 -3.875 -7.200 1.00 0.00 O ATOM 0 H GLY A 99 -4.522 -4.571 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.781 -5.739 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.304 -4.054 -4.565 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.862 -4.936 -5.762 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.058 -4.660 -6.539 1.00 0.00 C ATOM 1513 C ILE A 100 -11.161 -4.153 -5.607 1.00 0.00 C ATOM 1514 O ILE A 100 -10.877 -3.520 -4.591 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.461 -5.889 -7.357 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -11.043 -6.980 -6.456 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -9.286 -6.401 -8.192 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -12.312 -7.578 -7.067 1.00 0.00 C ATOM 0 H ILE A 100 -9.023 -5.466 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.866 -3.871 -7.266 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.246 -5.594 -8.053 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -10.303 -7.766 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.269 -6.563 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.599 -7.275 -8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.957 -5.619 -8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.463 -6.675 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.705 -8.351 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.059 -6.794 -7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.077 -8.015 -8.037 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.395 -4.449 -5.987 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.541 -4.031 -5.198 1.00 0.00 C ATOM 1532 C GLY A 101 -13.730 -2.514 -5.265 1.00 0.00 C ATOM 1533 O GLY A 101 -13.417 -1.891 -6.279 1.00 0.00 O ATOM 0 H GLY A 101 -12.626 -4.973 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.439 -4.529 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.405 -4.338 -4.161 1.00 0.00 H new ATOM 1537 N GLU A 102 -14.239 -1.964 -4.173 1.00 0.00 N ATOM 1538 CA GLU A 102 -14.473 -0.532 -4.096 1.00 0.00 C ATOM 1539 C GLU A 102 -13.214 0.235 -4.507 1.00 0.00 C ATOM 1540 O GLU A 102 -12.247 0.300 -3.748 1.00 0.00 O ATOM 1541 CB GLU A 102 -14.929 -0.126 -2.693 1.00 0.00 C ATOM 1542 CG GLU A 102 -16.453 -0.009 -2.624 1.00 0.00 C ATOM 1543 CD GLU A 102 -16.872 1.283 -1.920 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -16.112 2.268 -2.040 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -17.944 1.257 -1.276 1.00 0.00 O ATOM 0 H GLU A 102 -14.496 -2.484 -3.334 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.273 -0.276 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.584 -0.863 -1.967 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -14.475 0.827 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.869 -0.030 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.864 -0.867 -2.092 1.00 0.00 H new ATOM 1552 N ARG A 103 -13.266 0.796 -5.706 1.00 0.00 N ATOM 1553 CA ARG A 103 -12.142 1.555 -6.226 1.00 0.00 C ATOM 1554 C ARG A 103 -12.165 2.982 -5.676 1.00 0.00 C ATOM 1555 O ARG A 103 -13.216 3.480 -5.276 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.172 1.604 -7.755 1.00 0.00 C ATOM 1557 CG ARG A 103 -12.124 0.196 -8.351 1.00 0.00 C ATOM 1558 CD ARG A 103 -11.626 0.228 -9.797 1.00 0.00 C ATOM 1559 NE ARG A 103 -12.394 -0.734 -10.619 1.00 0.00 N ATOM 1560 CZ ARG A 103 -13.722 -0.684 -10.788 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -14.438 0.281 -10.195 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -14.335 -1.599 -11.552 1.00 0.00 N ATOM 0 H ARG A 103 -14.069 0.740 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.228 1.055 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.077 2.113 -8.088 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -11.326 2.186 -8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.468 -0.434 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -13.117 -0.252 -8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.732 1.233 -10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.565 -0.019 -9.830 1.00 0.00 H new ATOM 0 HE ARG A 103 -11.880 -1.481 -11.086 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -13.972 0.978 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -15.449 0.318 -10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -13.790 -2.333 -12.005 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -15.346 -1.561 -11.681 1.00 0.00 H new ATOM 1576 N PRO A 104 -10.962 3.616 -5.673 1.00 0.00 N ATOM 1577 CA PRO A 104 -10.834 4.977 -5.178 1.00 0.00 C ATOM 1578 C PRO A 104 -11.400 5.981 -6.184 1.00 0.00 C ATOM 1579 O PRO A 104 -11.161 5.865 -7.385 1.00 0.00 O ATOM 1580 CB PRO A 104 -9.348 5.165 -4.923 1.00 0.00 C ATOM 1581 CG PRO A 104 -8.647 4.074 -5.718 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.696 3.058 -6.138 1.00 0.00 C ATOM 0 HA PRO A 104 -11.405 5.149 -4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.019 6.154 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.120 5.081 -3.860 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.153 4.497 -6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.874 3.598 -5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.699 2.916 -7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.505 2.083 -5.689 1.00 0.00 H new ATOM 1590 N GLN A 105 -12.141 6.945 -5.656 1.00 0.00 N ATOM 1591 CA GLN A 105 -12.743 7.969 -6.493 1.00 0.00 C ATOM 1592 C GLN A 105 -11.943 9.270 -6.398 1.00 0.00 C ATOM 1593 O GLN A 105 -11.302 9.536 -5.382 1.00 0.00 O ATOM 1594 CB GLN A 105 -14.207 8.197 -6.113 1.00 0.00 C ATOM 1595 CG GLN A 105 -14.319 8.918 -4.768 1.00 0.00 C ATOM 1596 CD GLN A 105 -15.783 9.109 -4.368 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -16.555 9.776 -5.037 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -16.122 8.487 -3.242 1.00 0.00 N ATOM 0 H GLN A 105 -12.338 7.038 -4.660 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.720 7.625 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -14.700 8.785 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.726 7.240 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -13.800 8.344 -4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -13.826 9.888 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -15.427 7.944 -2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.077 8.553 -2.891 1.00 0.00 H new ATOM 1607 N PRO A 106 -12.009 10.067 -7.498 1.00 0.00 N ATOM 1608 CA PRO A 106 -11.299 11.334 -7.548 1.00 0.00 C ATOM 1609 C PRO A 106 -12.004 12.392 -6.697 1.00 0.00 C ATOM 1610 O PRO A 106 -13.223 12.537 -6.764 1.00 0.00 O ATOM 1611 CB PRO A 106 -11.246 11.697 -9.023 1.00 0.00 C ATOM 1612 CG PRO A 106 -12.325 10.865 -9.696 1.00 0.00 C ATOM 1613 CD PRO A 106 -12.759 9.785 -8.718 1.00 0.00 C ATOM 0 HA PRO A 106 -10.294 11.270 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.426 12.762 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.265 11.478 -9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -13.173 11.492 -9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.945 10.418 -10.615 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -13.834 9.821 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.533 8.790 -9.101 1.00 0.00 H new ATOM 1621 N SER A 107 -11.206 13.104 -5.914 1.00 0.00 N ATOM 1622 CA SER A 107 -11.738 14.144 -5.051 1.00 0.00 C ATOM 1623 C SER A 107 -12.606 15.106 -5.864 1.00 0.00 C ATOM 1624 O SER A 107 -13.776 15.311 -5.547 1.00 0.00 O ATOM 1625 CB SER A 107 -10.612 14.907 -4.350 1.00 0.00 C ATOM 1626 OG SER A 107 -9.529 14.053 -3.994 1.00 0.00 O ATOM 0 H SER A 107 -10.195 12.981 -5.860 1.00 0.00 H new ATOM 0 HA SER A 107 -12.352 13.671 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.249 15.699 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.004 15.388 -3.454 1.00 0.00 H new ATOM 0 HG SER A 107 -8.692 14.563 -4.008 1.00 0.00 H new ATOM 1632 N GLY A 108 -11.998 15.671 -6.897 1.00 0.00 N ATOM 1633 CA GLY A 108 -12.701 16.606 -7.759 1.00 0.00 C ATOM 1634 C GLY A 108 -12.703 18.012 -7.155 1.00 0.00 C ATOM 1635 O GLY A 108 -13.218 18.220 -6.057 1.00 0.00 O ATOM 0 H GLY A 108 -11.027 15.499 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.227 16.628 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -13.727 16.269 -7.908 1.00 0.00 H new ATOM 1639 N PRO A 109 -12.106 18.966 -7.918 1.00 0.00 N ATOM 1640 CA PRO A 109 -12.034 20.347 -7.470 1.00 0.00 C ATOM 1641 C PRO A 109 -13.392 21.039 -7.606 1.00 0.00 C ATOM 1642 O PRO A 109 -13.755 21.493 -8.690 1.00 0.00 O ATOM 1643 CB PRO A 109 -10.954 20.984 -8.329 1.00 0.00 C ATOM 1644 CG PRO A 109 -10.788 20.072 -9.534 1.00 0.00 C ATOM 1645 CD PRO A 109 -11.486 18.757 -9.223 1.00 0.00 C ATOM 0 HA PRO A 109 -11.785 20.434 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -11.242 21.989 -8.637 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.019 21.075 -7.777 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.219 20.532 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.732 19.903 -9.743 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.231 18.515 -9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.777 17.929 -9.197 1.00 0.00 H new ATOM 1653 N SER A 110 -14.105 21.097 -6.490 1.00 0.00 N ATOM 1654 CA SER A 110 -15.415 21.726 -6.472 1.00 0.00 C ATOM 1655 C SER A 110 -15.610 22.489 -5.160 1.00 0.00 C ATOM 1656 O SER A 110 -15.553 21.901 -4.081 1.00 0.00 O ATOM 1657 CB SER A 110 -16.526 20.690 -6.653 1.00 0.00 C ATOM 1658 OG SER A 110 -16.885 20.071 -5.421 1.00 0.00 O ATOM 0 H SER A 110 -13.800 20.719 -5.593 1.00 0.00 H new ATOM 0 HA SER A 110 -15.470 22.427 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.403 21.171 -7.086 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.199 19.928 -7.360 1.00 0.00 H new ATOM 0 HG SER A 110 -16.255 20.344 -4.722 1.00 0.00 H new ATOM 1664 N SER A 111 -15.835 23.788 -5.296 1.00 0.00 N ATOM 1665 CA SER A 111 -16.039 24.637 -4.135 1.00 0.00 C ATOM 1666 C SER A 111 -17.017 25.763 -4.475 1.00 0.00 C ATOM 1667 O SER A 111 -16.986 26.304 -5.580 1.00 0.00 O ATOM 1668 CB SER A 111 -14.714 25.218 -3.637 1.00 0.00 C ATOM 1669 OG SER A 111 -14.131 26.107 -4.586 1.00 0.00 O ATOM 0 H SER A 111 -15.880 24.273 -6.192 1.00 0.00 H new ATOM 0 HA SER A 111 -16.460 24.027 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.880 25.747 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.018 24.406 -3.426 1.00 0.00 H new ATOM 0 HG SER A 111 -13.288 26.458 -4.230 1.00 0.00 H new ATOM 1675 N GLY A 112 -17.862 26.084 -3.506 1.00 0.00 N ATOM 1676 CA GLY A 112 -18.848 27.136 -3.690 1.00 0.00 C ATOM 1677 C GLY A 112 -19.414 27.597 -2.346 1.00 0.00 C ATOM 1678 O GLY A 112 -19.222 28.745 -1.949 1.00 0.00 O ATOM 0 H GLY A 112 -17.884 25.634 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -18.392 27.981 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -19.657 26.774 -4.325 1.00 0.00 H new TER 1682 GLY A 112