USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 837 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 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 83 HIS : +bothHN:sc= -5.77! C(o=-5.8!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 6 ASN : amide:sc= -0.0107 K(o=-0.011,f=-1.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -46:sc= 0.0588 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -32:sc= 1.35 USER MOD Single : A 20 GLN : amide:sc= -5.63! C(o=-5.6!,f=-7.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00241 X(o=-0.0024,f=-0.12) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.884 F(o=-2.4!,f=-0.88) USER MOD Single : A 30 SER OG : rot 180:sc= -1.8! USER MOD Single : A 32 GLN : amide:sc= -2.49 K(o=-2.5,f=-6.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -150:sc= -0.252 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.234 K(o=-0.23,f=-2.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= -0.131 (180deg=-1.32) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 154:sc= -0.0035 (180deg=-0.285) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.927 USER MOD Single : A 65 SER OG : rot 180:sc= -2.94! USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 79 CYS SG : rot 110:sc= -0.244 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.16) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 10:sc= -0.139 USER MOD Single : A 103 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.4) USER MOD Single : A 109 THR OG1 : rot -1:sc= 0.916 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 74.816 -2.128 0.394 1.00 0.00 N ATOM 2 CA GLY A 1 74.912 -2.909 -0.872 1.00 0.00 C ATOM 3 C GLY A 1 73.586 -2.818 -1.629 1.00 0.00 C ATOM 4 O GLY A 1 72.710 -3.644 -1.468 1.00 0.00 O ATOM 0 H1 GLY A 1 75.717 -2.190 0.909 1.00 0.00 H new ATOM 0 H2 GLY A 1 74.611 -1.133 0.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 74.053 -2.516 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 75.723 -2.523 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 75.147 -3.950 -0.652 1.00 0.00 H new ATOM 10 N SER A 2 73.431 -1.820 -2.455 1.00 0.00 N ATOM 11 CA SER A 2 72.160 -1.677 -3.221 1.00 0.00 C ATOM 12 C SER A 2 71.875 -2.956 -4.013 1.00 0.00 C ATOM 13 O SER A 2 70.831 -3.562 -3.875 1.00 0.00 O ATOM 14 CB SER A 2 72.398 -0.501 -4.167 1.00 0.00 C ATOM 15 OG SER A 2 71.151 0.098 -4.492 1.00 0.00 O ATOM 0 H SER A 2 74.129 -1.098 -2.633 1.00 0.00 H new ATOM 0 HA SER A 2 71.302 -1.508 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 2 73.055 0.231 -3.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 72.898 -0.843 -5.073 1.00 0.00 H new ATOM 0 HG SER A 2 71.299 0.854 -5.097 1.00 0.00 H new ATOM 21 N LEU A 3 72.794 -3.373 -4.840 1.00 0.00 N ATOM 22 CA LEU A 3 72.571 -4.613 -5.637 1.00 0.00 C ATOM 23 C LEU A 3 72.350 -5.805 -4.701 1.00 0.00 C ATOM 24 O LEU A 3 73.246 -6.230 -4.000 1.00 0.00 O ATOM 25 CB LEU A 3 73.854 -4.799 -6.448 1.00 0.00 C ATOM 26 CG LEU A 3 73.585 -4.461 -7.917 1.00 0.00 C ATOM 27 CD1 LEU A 3 72.592 -5.469 -8.501 1.00 0.00 C ATOM 28 CD2 LEU A 3 72.996 -3.053 -8.016 1.00 0.00 C ATOM 0 H LEU A 3 73.689 -2.910 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 3 71.692 -4.542 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 3 74.642 -4.156 -6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 3 74.207 -5.826 -6.359 1.00 0.00 H new ATOM 0 HG LEU A 3 74.520 -4.506 -8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 3 72.401 -5.228 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 3 73.009 -6.473 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 3 71.657 -5.425 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 3 72.804 -2.812 -9.061 1.00 0.00 H new ATOM 0 HD22 LEU A 3 72.062 -3.009 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 3 73.702 -2.333 -7.601 1.00 0.00 H new ATOM 40 N GLN A 4 71.163 -6.347 -4.684 1.00 0.00 N ATOM 41 CA GLN A 4 70.887 -7.509 -3.793 1.00 0.00 C ATOM 42 C GLN A 4 71.687 -8.731 -4.252 1.00 0.00 C ATOM 43 O GLN A 4 71.408 -9.318 -5.279 1.00 0.00 O ATOM 44 CB GLN A 4 69.386 -7.768 -3.929 1.00 0.00 C ATOM 45 CG GLN A 4 68.900 -8.594 -2.736 1.00 0.00 C ATOM 46 CD GLN A 4 67.371 -8.618 -2.720 1.00 0.00 C ATOM 47 OE1 GLN A 4 66.715 -8.410 -3.829 1.00 0.00 O flip ATOM 48 NE2 GLN A 4 66.765 -8.828 -1.688 1.00 0.00 N flip ATOM 0 H GLN A 4 70.373 -6.035 -5.249 1.00 0.00 H new ATOM 0 HA GLN A 4 71.174 -7.312 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 4 68.846 -6.822 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 4 69.180 -8.297 -4.859 1.00 0.00 H new ATOM 0 HG2 GLN A 4 69.289 -9.610 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 4 69.277 -8.167 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 4 67.276 -8.991 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 4 65.745 -8.842 -1.689 1.00 0.00 H new ATOM 57 N ASP A 5 72.681 -9.119 -3.500 1.00 0.00 N ATOM 58 CA ASP A 5 73.498 -10.302 -3.895 1.00 0.00 C ATOM 59 C ASP A 5 73.631 -11.271 -2.717 1.00 0.00 C ATOM 60 O ASP A 5 74.353 -11.019 -1.773 1.00 0.00 O ATOM 61 CB ASP A 5 74.865 -9.731 -4.274 1.00 0.00 C ATOM 62 CG ASP A 5 75.012 -9.728 -5.796 1.00 0.00 C ATOM 63 OD1 ASP A 5 74.618 -8.749 -6.407 1.00 0.00 O ATOM 64 OD2 ASP A 5 75.517 -10.705 -6.325 1.00 0.00 O ATOM 0 H ASP A 5 72.963 -8.668 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 5 73.046 -10.859 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 5 74.968 -8.718 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 5 75.658 -10.327 -3.823 1.00 0.00 H new ATOM 69 N ASN A 6 72.940 -12.377 -2.765 1.00 0.00 N ATOM 70 CA ASN A 6 73.030 -13.360 -1.648 1.00 0.00 C ATOM 71 C ASN A 6 74.359 -14.118 -1.717 1.00 0.00 C ATOM 72 O ASN A 6 75.192 -13.851 -2.561 1.00 0.00 O ATOM 73 CB ASN A 6 71.855 -14.316 -1.865 1.00 0.00 C ATOM 74 CG ASN A 6 70.579 -13.694 -1.294 1.00 0.00 C ATOM 75 OD1 ASN A 6 70.318 -12.525 -1.495 1.00 0.00 O ATOM 76 ND2 ASN A 6 69.769 -14.431 -0.585 1.00 0.00 N ATOM 0 H ASN A 6 72.318 -12.642 -3.528 1.00 0.00 H new ATOM 0 HA ASN A 6 72.989 -12.879 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 6 71.729 -14.519 -2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 6 72.055 -15.271 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 6 68.916 -14.025 -0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 6 69.988 -15.413 -0.416 1.00 0.00 H new ATOM 83 N SER A 7 74.564 -15.060 -0.836 1.00 0.00 N ATOM 84 CA SER A 7 75.840 -15.831 -0.857 1.00 0.00 C ATOM 85 C SER A 7 75.663 -17.165 -0.125 1.00 0.00 C ATOM 86 O SER A 7 74.843 -17.295 0.762 1.00 0.00 O ATOM 87 CB SER A 7 76.848 -14.946 -0.123 1.00 0.00 C ATOM 88 OG SER A 7 76.154 -14.063 0.745 1.00 0.00 O ATOM 0 H SER A 7 73.905 -15.328 -0.105 1.00 0.00 H new ATOM 0 HA SER A 7 76.165 -16.066 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 7 77.543 -15.563 0.447 1.00 0.00 H new ATOM 0 HB3 SER A 7 77.440 -14.378 -0.840 1.00 0.00 H new ATOM 0 HG SER A 7 76.798 -13.496 1.218 1.00 0.00 H new ATOM 94 N SER A 8 76.428 -18.158 -0.492 1.00 0.00 N ATOM 95 CA SER A 8 76.303 -19.483 0.183 1.00 0.00 C ATOM 96 C SER A 8 77.685 -19.995 0.599 1.00 0.00 C ATOM 97 O SER A 8 77.866 -21.165 0.874 1.00 0.00 O ATOM 98 CB SER A 8 75.685 -20.405 -0.867 1.00 0.00 C ATOM 99 OG SER A 8 75.125 -21.541 -0.221 1.00 0.00 O ATOM 0 H SER A 8 77.132 -18.110 -1.228 1.00 0.00 H new ATOM 0 HA SER A 8 75.697 -19.431 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 8 74.915 -19.874 -1.427 1.00 0.00 H new ATOM 0 HB3 SER A 8 76.443 -20.717 -1.585 1.00 0.00 H new ATOM 0 HG SER A 8 75.762 -21.891 0.436 1.00 0.00 H new ATOM 105 N TYR A 9 78.659 -19.129 0.646 1.00 0.00 N ATOM 106 CA TYR A 9 80.027 -19.566 1.043 1.00 0.00 C ATOM 107 C TYR A 9 80.782 -18.407 1.701 1.00 0.00 C ATOM 108 O TYR A 9 80.394 -17.263 1.581 1.00 0.00 O ATOM 109 CB TYR A 9 80.706 -19.976 -0.264 1.00 0.00 C ATOM 110 CG TYR A 9 81.010 -18.743 -1.080 1.00 0.00 C ATOM 111 CD1 TYR A 9 79.974 -18.061 -1.729 1.00 0.00 C ATOM 112 CD2 TYR A 9 82.327 -18.278 -1.183 1.00 0.00 C ATOM 113 CE1 TYR A 9 80.256 -16.916 -2.484 1.00 0.00 C ATOM 114 CE2 TYR A 9 82.608 -17.133 -1.938 1.00 0.00 C ATOM 115 CZ TYR A 9 81.572 -16.452 -2.588 1.00 0.00 C ATOM 116 OH TYR A 9 81.850 -15.323 -3.332 1.00 0.00 O ATOM 0 H TYR A 9 78.567 -18.137 0.427 1.00 0.00 H new ATOM 0 HA TYR A 9 80.007 -20.382 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 9 81.626 -20.522 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 9 80.059 -20.648 -0.828 1.00 0.00 H new ATOM 0 HD1 TYR A 9 78.958 -18.418 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 9 83.126 -18.803 -0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 9 79.457 -16.391 -2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 9 83.624 -16.775 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 9 82.812 -15.138 -3.299 1.00 0.00 H new ATOM 126 N PRO A 10 81.845 -18.751 2.377 1.00 0.00 N ATOM 127 CA PRO A 10 82.674 -17.731 3.066 1.00 0.00 C ATOM 128 C PRO A 10 83.149 -16.666 2.073 1.00 0.00 C ATOM 129 O PRO A 10 82.587 -16.501 1.008 1.00 0.00 O ATOM 130 CB PRO A 10 83.859 -18.524 3.615 1.00 0.00 C ATOM 131 CG PRO A 10 83.416 -19.954 3.627 1.00 0.00 C ATOM 132 CD PRO A 10 82.366 -20.107 2.560 1.00 0.00 C ATOM 0 HA PRO A 10 82.128 -17.201 3.847 1.00 0.00 H new ATOM 0 HB2 PRO A 10 84.742 -18.393 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 10 84.125 -18.188 4.617 1.00 0.00 H new ATOM 0 HG2 PRO A 10 84.258 -20.619 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 10 83.013 -20.223 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 10 82.791 -20.499 1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 10 81.581 -20.798 2.869 1.00 0.00 H new ATOM 140 N ASP A 11 84.182 -15.945 2.413 1.00 0.00 N ATOM 141 CA ASP A 11 84.696 -14.895 1.492 1.00 0.00 C ATOM 142 C ASP A 11 86.093 -15.267 0.992 1.00 0.00 C ATOM 143 O ASP A 11 87.092 -14.870 1.557 1.00 0.00 O ATOM 144 CB ASP A 11 84.748 -13.619 2.333 1.00 0.00 C ATOM 145 CG ASP A 11 85.398 -13.923 3.685 1.00 0.00 C ATOM 146 OD1 ASP A 11 86.248 -14.799 3.729 1.00 0.00 O ATOM 147 OD2 ASP A 11 85.036 -13.276 4.653 1.00 0.00 O ATOM 0 H ASP A 11 84.693 -16.039 3.291 1.00 0.00 H new ATOM 0 HA ASP A 11 84.066 -14.775 0.611 1.00 0.00 H new ATOM 0 HB2 ASP A 11 85.315 -12.849 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 11 83.742 -13.228 2.481 1.00 0.00 H new ATOM 152 N GLU A 12 86.173 -16.029 -0.065 1.00 0.00 N ATOM 153 CA GLU A 12 87.507 -16.424 -0.598 1.00 0.00 C ATOM 154 C GLU A 12 88.202 -15.270 -1.357 1.00 0.00 C ATOM 155 O GLU A 12 89.410 -15.275 -1.478 1.00 0.00 O ATOM 156 CB GLU A 12 87.232 -17.619 -1.524 1.00 0.00 C ATOM 157 CG GLU A 12 86.824 -17.148 -2.925 1.00 0.00 C ATOM 158 CD GLU A 12 87.862 -17.626 -3.943 1.00 0.00 C ATOM 159 OE1 GLU A 12 87.906 -18.819 -4.199 1.00 0.00 O ATOM 160 OE2 GLU A 12 88.592 -16.792 -4.450 1.00 0.00 O ATOM 0 H GLU A 12 85.373 -16.394 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 12 88.193 -16.681 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 12 88.123 -18.243 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 12 86.441 -18.237 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 12 85.840 -17.541 -3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 12 86.749 -16.061 -2.948 1.00 0.00 H new ATOM 167 N PRO A 13 87.439 -14.313 -1.852 1.00 0.00 N ATOM 168 CA PRO A 13 88.059 -13.183 -2.592 1.00 0.00 C ATOM 169 C PRO A 13 89.033 -12.419 -1.691 1.00 0.00 C ATOM 170 O PRO A 13 90.143 -12.113 -2.079 1.00 0.00 O ATOM 171 CB PRO A 13 86.879 -12.292 -2.984 1.00 0.00 C ATOM 172 CG PRO A 13 85.661 -13.145 -2.827 1.00 0.00 C ATOM 173 CD PRO A 13 85.978 -14.182 -1.787 1.00 0.00 C ATOM 0 HA PRO A 13 88.634 -13.517 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 13 86.825 -11.410 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 13 86.980 -11.937 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 13 84.806 -12.542 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 13 85.397 -13.617 -3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 13 85.649 -13.868 -0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 13 85.482 -15.128 -2.002 1.00 0.00 H new ATOM 181 N TRP A 14 88.627 -12.108 -0.490 1.00 0.00 N ATOM 182 CA TRP A 14 89.529 -11.359 0.433 1.00 0.00 C ATOM 183 C TRP A 14 90.921 -11.996 0.448 1.00 0.00 C ATOM 184 O TRP A 14 91.927 -11.315 0.466 1.00 0.00 O ATOM 185 CB TRP A 14 88.870 -11.468 1.807 1.00 0.00 C ATOM 186 CG TRP A 14 88.116 -10.210 2.095 1.00 0.00 C ATOM 187 CD1 TRP A 14 87.861 -9.721 3.330 1.00 0.00 C ATOM 188 CD2 TRP A 14 87.515 -9.273 1.153 1.00 0.00 C ATOM 189 NE1 TRP A 14 87.144 -8.545 3.207 1.00 0.00 N ATOM 190 CE2 TRP A 14 86.905 -8.227 1.884 1.00 0.00 C ATOM 191 CE3 TRP A 14 87.442 -9.232 -0.251 1.00 0.00 C ATOM 192 CZ2 TRP A 14 86.246 -7.176 1.246 1.00 0.00 C ATOM 193 CZ3 TRP A 14 86.779 -8.175 -0.897 1.00 0.00 C ATOM 194 CH2 TRP A 14 86.182 -7.150 -0.150 1.00 0.00 C ATOM 0 H TRP A 14 87.710 -12.340 -0.108 1.00 0.00 H new ATOM 0 HA TRP A 14 89.662 -10.321 0.128 1.00 0.00 H new ATOM 0 HB2 TRP A 14 88.195 -12.324 1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 14 89.627 -11.636 2.574 1.00 0.00 H new ATOM 0 HD1 TRP A 14 88.167 -10.175 4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 14 86.830 -7.981 3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 14 87.898 -10.017 -0.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 85.789 -6.388 1.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 86.729 -8.152 -1.976 1.00 0.00 H new ATOM 0 HH2 TRP A 14 85.673 -6.341 -0.653 1.00 0.00 H new ATOM 205 N ARG A 15 90.983 -13.297 0.436 1.00 0.00 N ATOM 206 CA ARG A 15 92.308 -13.985 0.444 1.00 0.00 C ATOM 207 C ARG A 15 93.262 -13.308 1.434 1.00 0.00 C ATOM 208 O ARG A 15 94.018 -12.426 1.079 1.00 0.00 O ATOM 209 CB ARG A 15 92.835 -13.849 -0.985 1.00 0.00 C ATOM 210 CG ARG A 15 94.216 -14.501 -1.086 1.00 0.00 C ATOM 211 CD ARG A 15 94.159 -15.914 -0.502 1.00 0.00 C ATOM 212 NE ARG A 15 92.945 -16.531 -1.103 1.00 0.00 N ATOM 213 CZ ARG A 15 93.054 -17.306 -2.147 1.00 0.00 C ATOM 214 NH1 ARG A 15 94.057 -18.136 -2.241 1.00 0.00 N ATOM 215 NH2 ARG A 15 92.161 -17.251 -3.098 1.00 0.00 N ATOM 0 H ARG A 15 90.173 -13.917 0.421 1.00 0.00 H new ATOM 0 HA ARG A 15 92.224 -15.027 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 15 92.146 -14.323 -1.684 1.00 0.00 H new ATOM 0 HB3 ARG A 15 92.897 -12.797 -1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 15 94.536 -14.539 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 15 94.952 -13.903 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 15 95.055 -16.481 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 15 94.092 -15.889 0.586 1.00 0.00 H new ATOM 0 HE ARG A 15 92.027 -16.348 -0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 15 94.755 -18.179 -1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 15 94.143 -18.742 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 15 91.378 -16.602 -3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 15 92.247 -17.857 -3.914 1.00 0.00 H new ATOM 229 N ILE A 16 93.240 -13.724 2.671 1.00 0.00 N ATOM 230 CA ILE A 16 94.152 -13.115 3.682 1.00 0.00 C ATOM 231 C ILE A 16 93.930 -13.785 5.046 1.00 0.00 C ATOM 232 O ILE A 16 94.854 -14.277 5.662 1.00 0.00 O ATOM 233 CB ILE A 16 93.801 -11.614 3.687 1.00 0.00 C ATOM 234 CG1 ILE A 16 95.097 -10.802 3.749 1.00 0.00 C ATOM 235 CG2 ILE A 16 92.916 -11.244 4.887 1.00 0.00 C ATOM 236 CD1 ILE A 16 95.141 -9.822 2.575 1.00 0.00 C ATOM 0 H ILE A 16 92.629 -14.460 3.026 1.00 0.00 H new ATOM 0 HA ILE A 16 95.209 -13.254 3.453 1.00 0.00 H new ATOM 0 HB ILE A 16 93.246 -11.389 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 16 95.154 -10.259 4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 16 95.959 -11.469 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 16 92.689 -10.178 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.988 -11.814 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 16 93.442 -11.477 5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 16 96.064 -9.243 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 16 95.104 -10.376 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 16 94.287 -9.147 2.632 1.00 0.00 H new ATOM 248 N THR A 17 92.709 -13.828 5.507 1.00 0.00 N ATOM 249 CA THR A 17 92.428 -14.491 6.820 1.00 0.00 C ATOM 250 C THR A 17 93.177 -13.780 7.948 1.00 0.00 C ATOM 251 O THR A 17 94.375 -13.919 8.096 1.00 0.00 O ATOM 252 CB THR A 17 92.934 -15.934 6.667 1.00 0.00 C ATOM 253 OG1 THR A 17 94.283 -16.014 7.108 1.00 0.00 O ATOM 254 CG2 THR A 17 92.851 -16.367 5.201 1.00 0.00 C ATOM 0 H THR A 17 91.894 -13.435 5.036 1.00 0.00 H new ATOM 0 HA THR A 17 91.368 -14.458 7.071 1.00 0.00 H new ATOM 0 HB THR A 17 92.311 -16.595 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 17 94.737 -15.165 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 17 93.212 -17.391 5.103 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.816 -16.313 4.864 1.00 0.00 H new ATOM 0 HG23 THR A 17 93.466 -15.706 4.591 1.00 0.00 H new ATOM 262 N GLU A 18 92.479 -13.018 8.746 1.00 0.00 N ATOM 263 CA GLU A 18 93.144 -12.294 9.868 1.00 0.00 C ATOM 264 C GLU A 18 94.497 -11.735 9.418 1.00 0.00 C ATOM 265 O GLU A 18 95.392 -11.531 10.214 1.00 0.00 O ATOM 266 CB GLU A 18 93.328 -13.343 10.964 1.00 0.00 C ATOM 267 CG GLU A 18 92.193 -13.221 11.983 1.00 0.00 C ATOM 268 CD GLU A 18 92.551 -14.013 13.242 1.00 0.00 C ATOM 269 OE1 GLU A 18 93.729 -14.112 13.541 1.00 0.00 O ATOM 270 OE2 GLU A 18 91.639 -14.506 13.886 1.00 0.00 O ATOM 0 H GLU A 18 91.473 -12.865 8.669 1.00 0.00 H new ATOM 0 HA GLU A 18 92.556 -11.444 10.214 1.00 0.00 H new ATOM 0 HB2 GLU A 18 93.334 -14.342 10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 94.290 -13.204 11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 18 92.027 -12.174 12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 91.264 -13.598 11.555 1.00 0.00 H new ATOM 277 N GLU A 19 94.645 -11.474 8.150 1.00 0.00 N ATOM 278 CA GLU A 19 95.924 -10.914 7.646 1.00 0.00 C ATOM 279 C GLU A 19 95.702 -9.460 7.243 1.00 0.00 C ATOM 280 O GLU A 19 96.547 -8.610 7.442 1.00 0.00 O ATOM 281 CB GLU A 19 96.288 -11.765 6.429 1.00 0.00 C ATOM 282 CG GLU A 19 97.403 -12.743 6.806 1.00 0.00 C ATOM 283 CD GLU A 19 98.719 -12.286 6.175 1.00 0.00 C ATOM 284 OE1 GLU A 19 98.849 -12.408 4.968 1.00 0.00 O ATOM 285 OE2 GLU A 19 99.576 -11.822 6.909 1.00 0.00 O ATOM 0 H GLU A 19 93.930 -11.626 7.439 1.00 0.00 H new ATOM 0 HA GLU A 19 96.719 -10.934 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 19 95.412 -12.312 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 19 96.613 -11.125 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 19 97.506 -12.793 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 19 97.152 -13.747 6.463 1.00 0.00 H new ATOM 292 N GLN A 20 94.554 -9.168 6.699 1.00 0.00 N ATOM 293 CA GLN A 20 94.256 -7.766 6.307 1.00 0.00 C ATOM 294 C GLN A 20 93.221 -7.187 7.274 1.00 0.00 C ATOM 295 O GLN A 20 93.142 -5.993 7.478 1.00 0.00 O ATOM 296 CB GLN A 20 93.721 -7.841 4.866 1.00 0.00 C ATOM 297 CG GLN A 20 92.195 -7.982 4.856 1.00 0.00 C ATOM 298 CD GLN A 20 91.744 -8.485 3.482 1.00 0.00 C ATOM 299 OE1 GLN A 20 92.423 -8.280 2.495 1.00 0.00 O ATOM 300 NE2 GLN A 20 90.621 -9.139 3.377 1.00 0.00 N ATOM 0 H GLN A 20 93.811 -9.840 6.510 1.00 0.00 H new ATOM 0 HA GLN A 20 95.129 -7.115 6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 20 94.011 -6.944 4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 20 94.172 -8.689 4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 20 91.877 -8.677 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 20 91.728 -7.022 5.076 1.00 0.00 H new ATOM 0 HE21 GLN A 20 90.052 -9.311 4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 20 90.312 -9.479 2.466 1.00 0.00 H new ATOM 309 N ARG A 21 92.441 -8.038 7.885 1.00 0.00 N ATOM 310 CA ARG A 21 91.423 -7.553 8.856 1.00 0.00 C ATOM 311 C ARG A 21 92.123 -7.102 10.137 1.00 0.00 C ATOM 312 O ARG A 21 91.573 -6.371 10.936 1.00 0.00 O ATOM 313 CB ARG A 21 90.529 -8.763 9.126 1.00 0.00 C ATOM 314 CG ARG A 21 89.094 -8.445 8.702 1.00 0.00 C ATOM 315 CD ARG A 21 88.279 -9.739 8.648 1.00 0.00 C ATOM 316 NE ARG A 21 87.072 -9.400 7.846 1.00 0.00 N ATOM 317 CZ ARG A 21 85.884 -9.526 8.370 1.00 0.00 C ATOM 318 NH1 ARG A 21 85.580 -8.872 9.458 1.00 0.00 N ATOM 319 NH2 ARG A 21 85.001 -10.304 7.806 1.00 0.00 N ATOM 0 H ARG A 21 92.466 -9.049 7.752 1.00 0.00 H new ATOM 0 HA ARG A 21 90.849 -6.705 8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 21 90.897 -9.630 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 21 90.558 -9.020 10.185 1.00 0.00 H new ATOM 0 HG2 ARG A 21 88.642 -7.747 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 21 89.091 -7.960 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 21 88.848 -10.545 8.184 1.00 0.00 H new ATOM 0 HD3 ARG A 21 88.007 -10.076 9.648 1.00 0.00 H new ATOM 0 HE ARG A 21 87.174 -9.069 6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 21 86.271 -8.264 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 21 84.652 -8.969 9.869 1.00 0.00 H new ATOM 0 HH21 ARG A 21 85.240 -10.814 6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 21 84.072 -10.402 8.216 1.00 0.00 H new ATOM 333 N GLU A 22 93.340 -7.532 10.332 1.00 0.00 N ATOM 334 CA GLU A 22 94.087 -7.127 11.557 1.00 0.00 C ATOM 335 C GLU A 22 94.442 -5.640 11.481 1.00 0.00 C ATOM 336 O GLU A 22 94.202 -4.886 12.402 1.00 0.00 O ATOM 337 CB GLU A 22 95.354 -7.985 11.551 1.00 0.00 C ATOM 338 CG GLU A 22 95.087 -9.295 12.294 1.00 0.00 C ATOM 339 CD GLU A 22 94.944 -9.013 13.791 1.00 0.00 C ATOM 340 OE1 GLU A 22 95.902 -8.543 14.380 1.00 0.00 O ATOM 341 OE2 GLU A 22 93.876 -9.274 14.323 1.00 0.00 O ATOM 0 H GLU A 22 93.849 -8.146 9.696 1.00 0.00 H new ATOM 0 HA GLU A 22 93.506 -7.272 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.661 -8.192 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 22 96.173 -7.446 12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 22 94.179 -9.763 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 22 95.904 -9.996 12.122 1.00 0.00 H new ATOM 348 N TYR A 23 95.007 -5.214 10.384 1.00 0.00 N ATOM 349 CA TYR A 23 95.372 -3.776 10.243 1.00 0.00 C ATOM 350 C TYR A 23 94.115 -2.941 9.983 1.00 0.00 C ATOM 351 O TYR A 23 93.975 -1.842 10.479 1.00 0.00 O ATOM 352 CB TYR A 23 96.309 -3.720 9.036 1.00 0.00 C ATOM 353 CG TYR A 23 97.468 -2.799 9.336 1.00 0.00 C ATOM 354 CD1 TYR A 23 97.231 -1.468 9.700 1.00 0.00 C ATOM 355 CD2 TYR A 23 98.781 -3.278 9.251 1.00 0.00 C ATOM 356 CE1 TYR A 23 98.306 -0.615 9.978 1.00 0.00 C ATOM 357 CE2 TYR A 23 99.856 -2.425 9.528 1.00 0.00 C ATOM 358 CZ TYR A 23 99.619 -1.094 9.892 1.00 0.00 C ATOM 359 OH TYR A 23 100.679 -0.254 10.166 1.00 0.00 O ATOM 0 H TYR A 23 95.231 -5.800 9.580 1.00 0.00 H new ATOM 0 HA TYR A 23 95.843 -3.378 11.142 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.677 -4.719 8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.768 -3.366 8.159 1.00 0.00 H new ATOM 0 HD1 TYR A 23 96.218 -1.099 9.766 1.00 0.00 H new ATOM 0 HD2 TYR A 23 98.964 -4.305 8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 23 98.123 0.412 10.259 1.00 0.00 H new ATOM 0 HE2 TYR A 23 100.869 -2.794 9.461 1.00 0.00 H new ATOM 0 HH TYR A 23 101.521 -0.745 10.061 1.00 0.00 H new ATOM 369 N TYR A 24 93.199 -3.458 9.208 1.00 0.00 N ATOM 370 CA TYR A 24 91.952 -2.694 8.918 1.00 0.00 C ATOM 371 C TYR A 24 91.225 -2.360 10.223 1.00 0.00 C ATOM 372 O TYR A 24 90.768 -1.252 10.425 1.00 0.00 O ATOM 373 CB TYR A 24 91.102 -3.630 8.055 1.00 0.00 C ATOM 374 CG TYR A 24 91.538 -3.532 6.611 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.818 -2.283 6.043 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.660 -4.695 5.837 1.00 0.00 C ATOM 377 CE1 TYR A 24 92.219 -2.195 4.704 1.00 0.00 C ATOM 378 CE2 TYR A 24 92.063 -4.607 4.499 1.00 0.00 C ATOM 379 CZ TYR A 24 92.341 -3.357 3.932 1.00 0.00 C ATOM 380 OH TYR A 24 92.737 -3.270 2.613 1.00 0.00 O ATOM 0 H TYR A 24 93.261 -4.374 8.764 1.00 0.00 H new ATOM 0 HA TYR A 24 92.154 -1.749 8.414 1.00 0.00 H new ATOM 0 HB2 TYR A 24 91.204 -4.657 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 24 90.048 -3.366 8.145 1.00 0.00 H new ATOM 0 HD1 TYR A 24 91.725 -1.387 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 24 91.443 -5.659 6.273 1.00 0.00 H new ATOM 0 HE1 TYR A 24 92.434 -1.231 4.267 1.00 0.00 H new ATOM 0 HE2 TYR A 24 92.159 -5.503 3.904 1.00 0.00 H new ATOM 0 HH TYR A 24 92.772 -4.168 2.222 1.00 0.00 H new ATOM 390 N VAL A 25 91.117 -3.309 11.112 1.00 0.00 N ATOM 391 CA VAL A 25 90.422 -3.046 12.403 1.00 0.00 C ATOM 392 C VAL A 25 91.213 -2.029 13.231 1.00 0.00 C ATOM 393 O VAL A 25 90.653 -1.136 13.836 1.00 0.00 O ATOM 394 CB VAL A 25 90.380 -4.400 13.113 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.899 -4.209 14.552 1.00 0.00 C ATOM 396 CG2 VAL A 25 89.417 -5.331 12.373 1.00 0.00 C ATOM 0 H VAL A 25 91.480 -4.255 11.000 1.00 0.00 H new ATOM 0 HA VAL A 25 89.425 -2.631 12.259 1.00 0.00 H new ATOM 0 HB VAL A 25 91.378 -4.838 13.120 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.869 -5.175 15.057 1.00 0.00 H new ATOM 0 HG12 VAL A 25 90.584 -3.545 15.079 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.901 -3.772 14.547 1.00 0.00 H new ATOM 0 HG21 VAL A 25 89.385 -6.297 12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 25 88.419 -4.892 12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.760 -5.468 11.347 1.00 0.00 H new ATOM 406 N ASN A 26 92.511 -2.157 13.262 1.00 0.00 N ATOM 407 CA ASN A 26 93.335 -1.195 14.051 1.00 0.00 C ATOM 408 C ASN A 26 92.962 0.244 13.685 1.00 0.00 C ATOM 409 O ASN A 26 93.210 1.169 14.432 1.00 0.00 O ATOM 410 CB ASN A 26 94.781 -1.494 13.654 1.00 0.00 C ATOM 411 CG ASN A 26 95.553 -1.996 14.875 1.00 0.00 C ATOM 412 OD1 ASN A 26 95.091 -2.869 15.584 1.00 0.00 O ATOM 413 ND2 ASN A 26 96.718 -1.480 15.152 1.00 0.00 N ATOM 0 H ASN A 26 93.037 -2.884 12.777 1.00 0.00 H new ATOM 0 HA ASN A 26 93.178 -1.299 15.125 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.804 -2.243 12.863 1.00 0.00 H new ATOM 0 HB3 ASN A 26 95.253 -0.596 13.256 1.00 0.00 H new ATOM 0 HD21 ASN A 26 97.242 -1.809 15.963 1.00 0.00 H new ATOM 0 HD22 ASN A 26 97.106 -0.748 14.557 1.00 0.00 H new ATOM 420 N GLN A 27 92.366 0.440 12.540 1.00 0.00 N ATOM 421 CA GLN A 27 91.975 1.813 12.127 1.00 0.00 C ATOM 422 C GLN A 27 90.571 2.126 12.662 1.00 0.00 C ATOM 423 O GLN A 27 90.318 3.194 13.184 1.00 0.00 O ATOM 424 CB GLN A 27 92.005 1.765 10.593 1.00 0.00 C ATOM 425 CG GLN A 27 90.968 2.721 10.004 1.00 0.00 C ATOM 426 CD GLN A 27 91.375 4.166 10.303 1.00 0.00 C ATOM 427 OE1 GLN A 27 90.599 4.910 11.045 1.00 0.00 O flip ATOM 428 NE2 GLN A 27 92.408 4.622 9.858 1.00 0.00 N flip ATOM 0 H GLN A 27 92.134 -0.296 11.873 1.00 0.00 H new ATOM 0 HA GLN A 27 92.631 2.593 12.514 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.999 2.033 10.235 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.806 0.749 10.252 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.889 2.570 8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 27 89.985 2.514 10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 27 93.014 4.041 9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 27 92.670 5.586 10.063 1.00 0.00 H new ATOM 437 N PHE A 28 89.663 1.196 12.544 1.00 0.00 N ATOM 438 CA PHE A 28 88.281 1.430 13.052 1.00 0.00 C ATOM 439 C PHE A 28 88.299 1.486 14.581 1.00 0.00 C ATOM 440 O PHE A 28 87.346 1.899 15.211 1.00 0.00 O ATOM 441 CB PHE A 28 87.478 0.224 12.555 1.00 0.00 C ATOM 442 CG PHE A 28 86.176 0.105 13.316 1.00 0.00 C ATOM 443 CD1 PHE A 28 86.173 -0.327 14.650 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.967 0.415 12.680 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.964 -0.446 15.345 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.758 0.293 13.376 1.00 0.00 C ATOM 447 CZ PHE A 28 83.756 -0.137 14.707 1.00 0.00 C ATOM 0 H PHE A 28 89.819 0.283 12.117 1.00 0.00 H new ATOM 0 HA PHE A 28 87.852 2.370 12.706 1.00 0.00 H new ATOM 0 HB2 PHE A 28 87.275 0.329 11.489 1.00 0.00 H new ATOM 0 HB3 PHE A 28 88.064 -0.687 12.680 1.00 0.00 H new ATOM 0 HD1 PHE A 28 87.104 -0.568 15.141 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.967 0.748 11.653 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.963 -0.776 16.373 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.826 0.531 12.885 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.823 -0.231 15.243 1.00 0.00 H new ATOM 457 N ARG A 29 89.381 1.072 15.182 1.00 0.00 N ATOM 458 CA ARG A 29 89.469 1.100 16.668 1.00 0.00 C ATOM 459 C ARG A 29 89.800 2.514 17.154 1.00 0.00 C ATOM 460 O ARG A 29 89.297 2.966 18.164 1.00 0.00 O ATOM 461 CB ARG A 29 90.603 0.134 17.015 1.00 0.00 C ATOM 462 CG ARG A 29 90.305 -0.547 18.353 1.00 0.00 C ATOM 463 CD ARG A 29 90.861 -1.973 18.335 1.00 0.00 C ATOM 464 NE ARG A 29 91.927 -1.983 19.375 1.00 0.00 N ATOM 465 CZ ARG A 29 93.118 -2.433 19.085 1.00 0.00 C ATOM 466 NH1 ARG A 29 94.026 -1.622 18.617 1.00 0.00 N ATOM 467 NH2 ARG A 29 93.400 -3.695 19.264 1.00 0.00 N ATOM 0 H ARG A 29 90.209 0.715 14.706 1.00 0.00 H new ATOM 0 HA ARG A 29 88.530 0.815 17.142 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.710 -0.615 16.230 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.549 0.673 17.072 1.00 0.00 H new ATOM 0 HG2 ARG A 29 90.754 0.019 19.169 1.00 0.00 H new ATOM 0 HG3 ARG A 29 89.230 -0.567 18.532 1.00 0.00 H new ATOM 0 HD2 ARG A 29 90.083 -2.703 18.560 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.263 -2.228 17.355 1.00 0.00 H new ATOM 0 HE ARG A 29 91.727 -1.638 20.314 1.00 0.00 H new ATOM 0 HH11 ARG A 29 93.806 -0.636 18.477 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.956 -1.974 18.391 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.690 -4.329 19.630 1.00 0.00 H new ATOM 0 HH22 ARG A 29 94.330 -4.047 19.038 1.00 0.00 H new ATOM 481 N SER A 30 90.641 3.216 16.445 1.00 0.00 N ATOM 482 CA SER A 30 90.997 4.601 16.869 1.00 0.00 C ATOM 483 C SER A 30 89.739 5.351 17.309 1.00 0.00 C ATOM 484 O SER A 30 89.786 6.232 18.144 1.00 0.00 O ATOM 485 CB SER A 30 91.606 5.254 15.629 1.00 0.00 C ATOM 486 OG SER A 30 90.573 5.865 14.866 1.00 0.00 O ATOM 0 H SER A 30 91.097 2.892 15.592 1.00 0.00 H new ATOM 0 HA SER A 30 91.688 4.612 17.712 1.00 0.00 H new ATOM 0 HB2 SER A 30 92.347 5.998 15.922 1.00 0.00 H new ATOM 0 HB3 SER A 30 92.125 4.507 15.028 1.00 0.00 H new ATOM 0 HG SER A 30 90.960 6.286 14.070 1.00 0.00 H new ATOM 492 N LEU A 31 88.611 5.002 16.754 1.00 0.00 N ATOM 493 CA LEU A 31 87.347 5.686 17.136 1.00 0.00 C ATOM 494 C LEU A 31 86.467 4.737 17.953 1.00 0.00 C ATOM 495 O LEU A 31 85.703 5.155 18.801 1.00 0.00 O ATOM 496 CB LEU A 31 86.666 6.042 15.812 1.00 0.00 C ATOM 497 CG LEU A 31 87.700 6.604 14.834 1.00 0.00 C ATOM 498 CD1 LEU A 31 87.800 5.687 13.614 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.268 8.002 14.384 1.00 0.00 C ATOM 0 H LEU A 31 88.512 4.270 16.050 1.00 0.00 H new ATOM 0 HA LEU A 31 87.524 6.570 17.749 1.00 0.00 H new ATOM 0 HB2 LEU A 31 86.192 5.157 15.386 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.877 6.775 15.983 1.00 0.00 H new ATOM 0 HG LEU A 31 88.671 6.662 15.326 1.00 0.00 H new ATOM 0 HD11 LEU A 31 88.537 6.087 12.917 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.106 4.690 13.932 1.00 0.00 H new ATOM 0 HD13 LEU A 31 86.829 5.629 13.122 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.004 8.404 13.687 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.297 7.942 13.892 1.00 0.00 H new ATOM 0 HD23 LEU A 31 87.195 8.657 15.252 1.00 0.00 H new ATOM 511 N GLN A 32 86.570 3.460 17.703 1.00 0.00 N ATOM 512 CA GLN A 32 85.743 2.480 18.459 1.00 0.00 C ATOM 513 C GLN A 32 86.627 1.640 19.386 1.00 0.00 C ATOM 514 O GLN A 32 87.432 0.852 18.930 1.00 0.00 O ATOM 515 CB GLN A 32 85.098 1.599 17.390 1.00 0.00 C ATOM 516 CG GLN A 32 83.671 1.246 17.811 1.00 0.00 C ATOM 517 CD GLN A 32 82.885 2.530 18.082 1.00 0.00 C ATOM 518 OE1 GLN A 32 83.227 3.583 17.580 1.00 0.00 O ATOM 519 NE2 GLN A 32 81.837 2.488 18.859 1.00 0.00 N ATOM 0 H GLN A 32 87.193 3.053 17.006 1.00 0.00 H new ATOM 0 HA GLN A 32 85.000 2.968 19.089 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.087 2.120 16.433 1.00 0.00 H new ATOM 0 HB3 GLN A 32 85.683 0.690 17.252 1.00 0.00 H new ATOM 0 HG2 GLN A 32 83.182 0.667 17.028 1.00 0.00 H new ATOM 0 HG3 GLN A 32 83.688 0.622 18.705 1.00 0.00 H new ATOM 0 HE21 GLN A 32 81.550 1.605 19.280 1.00 0.00 H new ATOM 0 HE22 GLN A 32 81.305 3.338 19.045 1.00 0.00 H new ATOM 528 N PRO A 33 86.447 1.839 20.665 1.00 0.00 N ATOM 529 CA PRO A 33 87.239 1.089 21.671 1.00 0.00 C ATOM 530 C PRO A 33 86.917 -0.404 21.595 1.00 0.00 C ATOM 531 O PRO A 33 87.796 -1.241 21.556 1.00 0.00 O ATOM 532 CB PRO A 33 86.790 1.670 23.011 1.00 0.00 C ATOM 533 CG PRO A 33 85.496 2.371 22.735 1.00 0.00 C ATOM 534 CD PRO A 33 85.499 2.768 21.285 1.00 0.00 C ATOM 0 HA PRO A 33 88.314 1.183 21.516 1.00 0.00 H new ATOM 0 HB2 PRO A 33 86.659 0.884 23.754 1.00 0.00 H new ATOM 0 HB3 PRO A 33 87.534 2.362 23.407 1.00 0.00 H new ATOM 0 HG2 PRO A 33 84.651 1.717 22.952 1.00 0.00 H new ATOM 0 HG3 PRO A 33 85.391 3.249 23.373 1.00 0.00 H new ATOM 0 HD2 PRO A 33 84.506 2.678 20.845 1.00 0.00 H new ATOM 0 HD3 PRO A 33 85.813 3.804 21.155 1.00 0.00 H new ATOM 542 N ASP A 34 85.659 -0.740 21.576 1.00 0.00 N ATOM 543 CA ASP A 34 85.267 -2.176 21.504 1.00 0.00 C ATOM 544 C ASP A 34 85.781 -2.802 20.203 1.00 0.00 C ATOM 545 O ASP A 34 85.589 -2.256 19.135 1.00 0.00 O ATOM 546 CB ASP A 34 83.739 -2.168 21.523 1.00 0.00 C ATOM 547 CG ASP A 34 83.244 -2.267 22.969 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.837 -1.629 23.822 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.280 -2.980 23.197 1.00 0.00 O ATOM 0 H ASP A 34 84.882 -0.080 21.607 1.00 0.00 H new ATOM 0 HA ASP A 34 85.685 -2.759 22.324 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.364 -1.255 21.061 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.353 -3.003 20.938 1.00 0.00 H new ATOM 554 N PRO A 35 86.422 -3.933 20.339 1.00 0.00 N ATOM 555 CA PRO A 35 86.971 -4.642 19.157 1.00 0.00 C ATOM 556 C PRO A 35 85.843 -5.008 18.186 1.00 0.00 C ATOM 557 O PRO A 35 85.948 -4.810 16.993 1.00 0.00 O ATOM 558 CB PRO A 35 87.613 -5.903 19.738 1.00 0.00 C ATOM 559 CG PRO A 35 87.744 -5.651 21.209 1.00 0.00 C ATOM 560 CD PRO A 35 86.691 -4.646 21.587 1.00 0.00 C ATOM 0 HA PRO A 35 87.682 -4.036 18.595 1.00 0.00 H new ATOM 0 HB2 PRO A 35 86.996 -6.781 19.545 1.00 0.00 H new ATOM 0 HB3 PRO A 35 88.586 -6.091 19.285 1.00 0.00 H new ATOM 0 HG2 PRO A 35 87.611 -6.576 21.770 1.00 0.00 H new ATOM 0 HG3 PRO A 35 88.738 -5.273 21.447 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.794 -5.132 21.971 1.00 0.00 H new ATOM 0 HD3 PRO A 35 87.045 -3.970 22.365 1.00 0.00 H new ATOM 568 N SER A 36 84.764 -5.539 18.693 1.00 0.00 N ATOM 569 CA SER A 36 83.629 -5.917 17.802 1.00 0.00 C ATOM 570 C SER A 36 82.452 -4.963 18.016 1.00 0.00 C ATOM 571 O SER A 36 81.402 -5.353 18.490 1.00 0.00 O ATOM 572 CB SER A 36 83.251 -7.337 18.222 1.00 0.00 C ATOM 573 OG SER A 36 82.958 -8.107 17.064 1.00 0.00 O ATOM 0 H SER A 36 84.619 -5.728 19.685 1.00 0.00 H new ATOM 0 HA SER A 36 83.896 -5.863 16.747 1.00 0.00 H new ATOM 0 HB2 SER A 36 84.069 -7.794 18.779 1.00 0.00 H new ATOM 0 HB3 SER A 36 82.387 -7.314 18.886 1.00 0.00 H new ATOM 0 HG SER A 36 82.717 -9.019 17.330 1.00 0.00 H new ATOM 579 N SER A 37 82.616 -3.715 17.673 1.00 0.00 N ATOM 580 CA SER A 37 81.505 -2.740 17.860 1.00 0.00 C ATOM 581 C SER A 37 81.256 -1.964 16.564 1.00 0.00 C ATOM 582 O SER A 37 81.776 -2.296 15.518 1.00 0.00 O ATOM 583 CB SER A 37 81.988 -1.798 18.962 1.00 0.00 C ATOM 584 OG SER A 37 81.170 -1.963 20.112 1.00 0.00 O ATOM 0 H SER A 37 83.470 -3.329 17.272 1.00 0.00 H new ATOM 0 HA SER A 37 80.567 -3.229 18.122 1.00 0.00 H new ATOM 0 HB2 SER A 37 83.028 -2.011 19.208 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.947 -0.765 18.617 1.00 0.00 H new ATOM 0 HG SER A 37 81.127 -1.118 20.607 1.00 0.00 H new ATOM 590 N PHE A 38 80.460 -0.934 16.628 1.00 0.00 N ATOM 591 CA PHE A 38 80.171 -0.132 15.403 1.00 0.00 C ATOM 592 C PHE A 38 80.537 1.337 15.635 1.00 0.00 C ATOM 593 O PHE A 38 80.324 1.876 16.703 1.00 0.00 O ATOM 594 CB PHE A 38 78.664 -0.280 15.185 1.00 0.00 C ATOM 595 CG PHE A 38 77.920 0.435 16.288 1.00 0.00 C ATOM 596 CD1 PHE A 38 77.783 1.827 16.250 1.00 0.00 C ATOM 597 CD2 PHE A 38 77.367 -0.295 17.347 1.00 0.00 C ATOM 598 CE1 PHE A 38 77.090 2.490 17.271 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.675 0.368 18.368 1.00 0.00 C ATOM 600 CZ PHE A 38 76.537 1.761 18.330 1.00 0.00 C ATOM 0 H PHE A 38 79.995 -0.611 17.477 1.00 0.00 H new ATOM 0 HA PHE A 38 80.745 -0.470 14.540 1.00 0.00 H new ATOM 0 HB2 PHE A 38 78.384 0.134 14.216 1.00 0.00 H new ATOM 0 HB3 PHE A 38 78.390 -1.335 15.172 1.00 0.00 H new ATOM 0 HD1 PHE A 38 78.211 2.390 15.434 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.474 -1.369 17.376 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.982 3.564 17.241 1.00 0.00 H new ATOM 0 HE2 PHE A 38 76.248 -0.195 19.185 1.00 0.00 H new ATOM 0 HZ PHE A 38 76.004 2.273 19.118 1.00 0.00 H new ATOM 610 N ILE A 39 81.076 1.992 14.643 1.00 0.00 N ATOM 611 CA ILE A 39 81.442 3.429 14.814 1.00 0.00 C ATOM 612 C ILE A 39 80.253 4.310 14.426 1.00 0.00 C ATOM 613 O ILE A 39 79.355 3.884 13.726 1.00 0.00 O ATOM 614 CB ILE A 39 82.625 3.658 13.867 1.00 0.00 C ATOM 615 CG1 ILE A 39 83.918 3.207 14.547 1.00 0.00 C ATOM 616 CG2 ILE A 39 82.738 5.144 13.517 1.00 0.00 C ATOM 617 CD1 ILE A 39 85.083 3.342 13.565 1.00 0.00 C ATOM 0 H ILE A 39 81.279 1.597 13.725 1.00 0.00 H new ATOM 0 HA ILE A 39 81.703 3.677 15.843 1.00 0.00 H new ATOM 0 HB ILE A 39 82.464 3.083 12.955 1.00 0.00 H new ATOM 0 HG12 ILE A 39 84.105 3.811 15.435 1.00 0.00 H new ATOM 0 HG13 ILE A 39 83.826 2.173 14.879 1.00 0.00 H new ATOM 0 HG21 ILE A 39 83.582 5.296 12.844 1.00 0.00 H new ATOM 0 HG22 ILE A 39 81.821 5.474 13.029 1.00 0.00 H new ATOM 0 HG23 ILE A 39 82.892 5.722 14.428 1.00 0.00 H new ATOM 0 HD11 ILE A 39 86.006 3.021 14.049 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.896 2.719 12.690 1.00 0.00 H new ATOM 0 HD13 ILE A 39 85.179 4.383 13.255 1.00 0.00 H new ATOM 629 N SER A 40 80.238 5.533 14.874 1.00 0.00 N ATOM 630 CA SER A 40 79.104 6.435 14.530 1.00 0.00 C ATOM 631 C SER A 40 79.070 6.696 13.021 1.00 0.00 C ATOM 632 O SER A 40 79.992 6.367 12.302 1.00 0.00 O ATOM 633 CB SER A 40 79.378 7.727 15.297 1.00 0.00 C ATOM 634 OG SER A 40 78.492 7.814 16.404 1.00 0.00 O ATOM 0 H SER A 40 80.961 5.947 15.463 1.00 0.00 H new ATOM 0 HA SER A 40 78.139 6.003 14.795 1.00 0.00 H new ATOM 0 HB2 SER A 40 80.412 7.746 15.642 1.00 0.00 H new ATOM 0 HB3 SER A 40 79.245 8.588 14.642 1.00 0.00 H new ATOM 0 HG SER A 40 78.667 8.642 16.899 1.00 0.00 H new ATOM 640 N GLY A 41 78.009 7.283 12.538 1.00 0.00 N ATOM 641 CA GLY A 41 77.909 7.566 11.078 1.00 0.00 C ATOM 642 C GLY A 41 78.801 8.755 10.722 1.00 0.00 C ATOM 643 O GLY A 41 79.959 8.593 10.397 1.00 0.00 O ATOM 0 H GLY A 41 77.206 7.579 13.093 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.211 6.689 10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 41 76.875 7.781 10.809 1.00 0.00 H new ATOM 647 N SER A 42 78.272 9.949 10.780 1.00 0.00 N ATOM 648 CA SER A 42 79.095 11.149 10.441 1.00 0.00 C ATOM 649 C SER A 42 80.500 11.015 11.034 1.00 0.00 C ATOM 650 O SER A 42 81.478 11.418 10.437 1.00 0.00 O ATOM 651 CB SER A 42 78.358 12.327 11.077 1.00 0.00 C ATOM 652 OG SER A 42 77.135 12.547 10.386 1.00 0.00 O ATOM 0 H SER A 42 77.307 10.146 11.047 1.00 0.00 H new ATOM 0 HA SER A 42 79.215 11.274 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 42 78.162 12.122 12.130 1.00 0.00 H new ATOM 0 HB3 SER A 42 78.978 13.223 11.036 1.00 0.00 H new ATOM 0 HG SER A 42 76.660 13.301 10.794 1.00 0.00 H new ATOM 658 N VAL A 43 80.606 10.452 12.205 1.00 0.00 N ATOM 659 CA VAL A 43 81.947 10.291 12.838 1.00 0.00 C ATOM 660 C VAL A 43 82.882 9.509 11.914 1.00 0.00 C ATOM 661 O VAL A 43 83.986 9.929 11.632 1.00 0.00 O ATOM 662 CB VAL A 43 81.679 9.506 14.122 1.00 0.00 C ATOM 663 CG1 VAL A 43 82.987 8.901 14.639 1.00 0.00 C ATOM 664 CG2 VAL A 43 81.099 10.446 15.181 1.00 0.00 C ATOM 0 H VAL A 43 79.822 10.096 12.752 1.00 0.00 H new ATOM 0 HA VAL A 43 82.430 11.248 13.035 1.00 0.00 H new ATOM 0 HB VAL A 43 80.968 8.706 13.915 1.00 0.00 H new ATOM 0 HG11 VAL A 43 82.793 8.342 15.554 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.401 8.231 13.886 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.700 9.699 14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 43 80.907 9.888 16.097 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.810 11.246 15.386 1.00 0.00 H new ATOM 0 HG23 VAL A 43 80.166 10.875 14.815 1.00 0.00 H new ATOM 674 N ALA A 44 82.452 8.371 11.445 1.00 0.00 N ATOM 675 CA ALA A 44 83.326 7.563 10.544 1.00 0.00 C ATOM 676 C ALA A 44 83.484 8.256 9.189 1.00 0.00 C ATOM 677 O ALA A 44 84.513 8.165 8.552 1.00 0.00 O ATOM 678 CB ALA A 44 82.602 6.226 10.385 1.00 0.00 C ATOM 0 H ALA A 44 81.538 7.965 11.644 1.00 0.00 H new ATOM 0 HA ALA A 44 84.330 7.437 10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.183 5.573 9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 44 82.487 5.756 11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 44 81.619 6.395 9.946 1.00 0.00 H new ATOM 684 N LYS A 45 82.475 8.953 8.741 1.00 0.00 N ATOM 685 CA LYS A 45 82.579 9.651 7.429 1.00 0.00 C ATOM 686 C LYS A 45 83.465 10.891 7.567 1.00 0.00 C ATOM 687 O LYS A 45 83.849 11.507 6.592 1.00 0.00 O ATOM 688 CB LYS A 45 81.148 10.052 7.075 1.00 0.00 C ATOM 689 CG LYS A 45 80.524 8.983 6.176 1.00 0.00 C ATOM 690 CD LYS A 45 79.682 9.659 5.092 1.00 0.00 C ATOM 691 CE LYS A 45 78.615 10.539 5.750 1.00 0.00 C ATOM 692 NZ LYS A 45 77.733 10.977 4.632 1.00 0.00 N ATOM 0 H LYS A 45 81.585 9.069 9.226 1.00 0.00 H new ATOM 0 HA LYS A 45 83.024 9.021 6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.557 10.168 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.145 11.016 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.305 8.375 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.903 8.311 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.319 10.263 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.210 8.906 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.054 9.983 6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.065 11.393 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 76.976 11.585 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 78.293 11.509 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 77.313 10.143 4.174 1.00 0.00 H new ATOM 706 N ASN A 46 83.792 11.260 8.775 1.00 0.00 N ATOM 707 CA ASN A 46 84.653 12.458 8.983 1.00 0.00 C ATOM 708 C ASN A 46 86.101 12.139 8.605 1.00 0.00 C ATOM 709 O ASN A 46 86.757 12.900 7.922 1.00 0.00 O ATOM 710 CB ASN A 46 84.548 12.761 10.478 1.00 0.00 C ATOM 711 CG ASN A 46 84.731 14.261 10.711 1.00 0.00 C ATOM 712 OD1 ASN A 46 84.515 15.058 9.819 1.00 0.00 O ATOM 713 ND2 ASN A 46 85.126 14.684 11.882 1.00 0.00 N ATOM 0 H ASN A 46 83.500 10.783 9.628 1.00 0.00 H new ATOM 0 HA ASN A 46 84.342 13.303 8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 46 83.578 12.439 10.857 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.306 12.202 11.027 1.00 0.00 H new ATOM 0 HD21 ASN A 46 85.253 15.682 12.047 1.00 0.00 H new ATOM 0 HD22 ASN A 46 85.307 14.016 12.631 1.00 0.00 H new ATOM 720 N PHE A 47 86.605 11.020 9.048 1.00 0.00 N ATOM 721 CA PHE A 47 88.009 10.656 8.720 1.00 0.00 C ATOM 722 C PHE A 47 88.051 9.786 7.455 1.00 0.00 C ATOM 723 O PHE A 47 89.028 9.777 6.733 1.00 0.00 O ATOM 724 CB PHE A 47 88.517 9.901 9.957 1.00 0.00 C ATOM 725 CG PHE A 47 88.213 8.427 9.844 1.00 0.00 C ATOM 726 CD1 PHE A 47 89.133 7.571 9.230 1.00 0.00 C ATOM 727 CD2 PHE A 47 87.017 7.918 10.361 1.00 0.00 C ATOM 728 CE1 PHE A 47 88.856 6.204 9.132 1.00 0.00 C ATOM 729 CE2 PHE A 47 86.741 6.552 10.264 1.00 0.00 C ATOM 730 CZ PHE A 47 87.661 5.694 9.650 1.00 0.00 C ATOM 0 H PHE A 47 86.104 10.343 9.623 1.00 0.00 H new ATOM 0 HA PHE A 47 88.634 11.523 8.504 1.00 0.00 H new ATOM 0 HB2 PHE A 47 89.592 10.049 10.063 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.049 10.306 10.854 1.00 0.00 H new ATOM 0 HD1 PHE A 47 90.056 7.965 8.832 1.00 0.00 H new ATOM 0 HD2 PHE A 47 86.308 8.580 10.835 1.00 0.00 H new ATOM 0 HE1 PHE A 47 89.565 5.542 8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 47 85.818 6.158 10.663 1.00 0.00 H new ATOM 0 HZ PHE A 47 87.448 4.638 9.576 1.00 0.00 H new ATOM 740 N PHE A 48 86.997 9.061 7.184 1.00 0.00 N ATOM 741 CA PHE A 48 86.971 8.201 5.964 1.00 0.00 C ATOM 742 C PHE A 48 87.611 8.934 4.783 1.00 0.00 C ATOM 743 O PHE A 48 88.625 8.520 4.257 1.00 0.00 O ATOM 744 CB PHE A 48 85.486 7.954 5.688 1.00 0.00 C ATOM 745 CG PHE A 48 85.087 6.613 6.252 1.00 0.00 C ATOM 746 CD1 PHE A 48 85.667 6.158 7.439 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.141 5.822 5.585 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.302 4.915 7.964 1.00 0.00 C ATOM 749 CE2 PHE A 48 83.778 4.577 6.109 1.00 0.00 C ATOM 750 CZ PHE A 48 84.358 4.122 7.300 1.00 0.00 C ATOM 0 H PHE A 48 86.153 9.027 7.755 1.00 0.00 H new ATOM 0 HA PHE A 48 87.526 7.273 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 48 84.885 8.744 6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.295 7.981 4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.397 6.767 7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.693 6.174 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 48 85.749 4.566 8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.050 3.966 5.595 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.078 3.161 7.706 1.00 0.00 H new ATOM 760 N THR A 49 87.024 10.020 4.363 1.00 0.00 N ATOM 761 CA THR A 49 87.591 10.782 3.217 1.00 0.00 C ATOM 762 C THR A 49 88.638 11.786 3.707 1.00 0.00 C ATOM 763 O THR A 49 88.439 12.983 3.652 1.00 0.00 O ATOM 764 CB THR A 49 86.395 11.511 2.604 1.00 0.00 C ATOM 765 OG1 THR A 49 86.788 12.117 1.380 1.00 0.00 O ATOM 766 CG2 THR A 49 85.897 12.585 3.572 1.00 0.00 C ATOM 0 H THR A 49 86.173 10.413 4.766 1.00 0.00 H new ATOM 0 HA THR A 49 88.092 10.134 2.498 1.00 0.00 H new ATOM 0 HB THR A 49 85.593 10.798 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 49 86.022 12.583 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 49 85.045 13.103 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 49 85.594 12.118 4.509 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.697 13.300 3.765 1.00 0.00 H new ATOM 774 N LYS A 50 89.755 11.307 4.184 1.00 0.00 N ATOM 775 CA LYS A 50 90.815 12.234 4.673 1.00 0.00 C ATOM 776 C LYS A 50 91.046 13.351 3.652 1.00 0.00 C ATOM 777 O LYS A 50 90.998 14.522 3.974 1.00 0.00 O ATOM 778 CB LYS A 50 92.067 11.367 4.812 1.00 0.00 C ATOM 779 CG LYS A 50 93.089 12.081 5.699 1.00 0.00 C ATOM 780 CD LYS A 50 94.340 11.212 5.841 1.00 0.00 C ATOM 781 CE LYS A 50 93.948 9.839 6.392 1.00 0.00 C ATOM 782 NZ LYS A 50 93.189 10.126 7.641 1.00 0.00 N ATOM 0 H LYS A 50 89.979 10.315 4.256 1.00 0.00 H new ATOM 0 HA LYS A 50 90.546 12.712 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 50 91.807 10.401 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 50 92.497 11.171 3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 50 93.351 13.046 5.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 92.658 12.279 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 94.830 11.101 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 50 95.056 11.693 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 50 93.338 9.287 5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 50 94.829 9.230 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 93.279 9.322 8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 93.572 10.982 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 92.186 10.275 7.411 1.00 0.00 H new ATOM 796 N SER A 51 91.293 12.998 2.421 1.00 0.00 N ATOM 797 CA SER A 51 91.524 14.037 1.377 1.00 0.00 C ATOM 798 C SER A 51 90.714 13.709 0.121 1.00 0.00 C ATOM 799 O SER A 51 91.231 13.711 -0.980 1.00 0.00 O ATOM 800 CB SER A 51 93.023 13.975 1.080 1.00 0.00 C ATOM 801 OG SER A 51 93.533 12.720 1.507 1.00 0.00 O ATOM 0 H SER A 51 91.345 12.034 2.092 1.00 0.00 H new ATOM 0 HA SER A 51 91.216 15.030 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 51 93.200 14.109 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 51 93.541 14.785 1.593 1.00 0.00 H new ATOM 0 HG SER A 51 94.493 12.675 1.317 1.00 0.00 H new ATOM 807 N LYS A 52 89.447 13.424 0.281 1.00 0.00 N ATOM 808 CA LYS A 52 88.589 13.090 -0.896 1.00 0.00 C ATOM 809 C LYS A 52 89.369 12.245 -1.908 1.00 0.00 C ATOM 810 O LYS A 52 89.139 12.313 -3.099 1.00 0.00 O ATOM 811 CB LYS A 52 88.195 14.441 -1.499 1.00 0.00 C ATOM 812 CG LYS A 52 89.413 15.089 -2.158 1.00 0.00 C ATOM 813 CD LYS A 52 88.959 16.280 -3.004 1.00 0.00 C ATOM 814 CE LYS A 52 89.614 17.560 -2.478 1.00 0.00 C ATOM 815 NZ LYS A 52 91.051 17.435 -2.850 1.00 0.00 N ATOM 0 H LYS A 52 88.967 13.408 1.181 1.00 0.00 H new ATOM 0 HA LYS A 52 87.715 12.503 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 52 87.402 14.304 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 52 87.800 15.095 -0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 52 90.120 15.418 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 52 89.932 14.362 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 52 89.230 16.123 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 52 87.874 16.373 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 52 89.165 18.447 -2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 89.492 17.652 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 91.470 18.383 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 91.555 16.902 -2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 91.132 16.933 -3.757 1.00 0.00 H new ATOM 829 N LEU A 53 90.289 11.446 -1.439 1.00 0.00 N ATOM 830 CA LEU A 53 91.087 10.593 -2.366 1.00 0.00 C ATOM 831 C LEU A 53 91.478 11.384 -3.621 1.00 0.00 C ATOM 832 O LEU A 53 92.436 12.132 -3.616 1.00 0.00 O ATOM 833 CB LEU A 53 90.165 9.425 -2.723 1.00 0.00 C ATOM 834 CG LEU A 53 90.326 8.311 -1.688 1.00 0.00 C ATOM 835 CD1 LEU A 53 89.699 8.752 -0.364 1.00 0.00 C ATOM 836 CD2 LEU A 53 89.624 7.046 -2.188 1.00 0.00 C ATOM 0 H LEU A 53 90.523 11.347 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 53 92.018 10.251 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 53 89.129 9.762 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 90.406 9.049 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 53 91.386 8.104 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 53 89.813 7.959 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 53 90.197 9.654 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 53 88.639 8.958 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 53 89.738 6.251 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 53 88.564 7.253 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 53 90.069 6.732 -3.132 1.00 0.00 H new ATOM 848 N SER A 54 90.750 11.228 -4.695 1.00 0.00 N ATOM 849 CA SER A 54 91.093 11.973 -5.936 1.00 0.00 C ATOM 850 C SER A 54 89.827 12.541 -6.586 1.00 0.00 C ATOM 851 O SER A 54 89.875 13.141 -7.641 1.00 0.00 O ATOM 852 CB SER A 54 91.745 10.940 -6.852 1.00 0.00 C ATOM 853 OG SER A 54 92.928 11.491 -7.417 1.00 0.00 O ATOM 0 H SER A 54 89.935 10.618 -4.764 1.00 0.00 H new ATOM 0 HA SER A 54 91.752 12.818 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 54 91.984 10.038 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 54 91.052 10.649 -7.642 1.00 0.00 H new ATOM 0 HG SER A 54 93.349 10.829 -8.004 1.00 0.00 H new ATOM 859 N ILE A 55 88.694 12.360 -5.963 1.00 0.00 N ATOM 860 CA ILE A 55 87.431 12.893 -6.547 1.00 0.00 C ATOM 861 C ILE A 55 86.298 12.807 -5.518 1.00 0.00 C ATOM 862 O ILE A 55 86.023 11.751 -4.986 1.00 0.00 O ATOM 863 CB ILE A 55 87.135 11.990 -7.746 1.00 0.00 C ATOM 864 CG1 ILE A 55 85.734 12.298 -8.280 1.00 0.00 C ATOM 865 CG2 ILE A 55 87.204 10.524 -7.315 1.00 0.00 C ATOM 866 CD1 ILE A 55 85.768 12.341 -9.809 1.00 0.00 C ATOM 0 H ILE A 55 88.589 11.867 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 55 87.520 13.940 -6.838 1.00 0.00 H new ATOM 0 HB ILE A 55 87.873 12.172 -8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 55 85.030 11.538 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 55 85.385 13.253 -7.887 1.00 0.00 H new ATOM 0 HG21 ILE A 55 86.993 9.883 -8.171 1.00 0.00 H new ATOM 0 HG22 ILE A 55 88.201 10.303 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE A 55 86.467 10.340 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 55 84.770 12.560 -10.189 1.00 0.00 H new ATOM 0 HD12 ILE A 55 86.460 13.117 -10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 55 86.098 11.376 -10.193 1.00 0.00 H new ATOM 878 N PRO A 56 85.680 13.932 -5.270 1.00 0.00 N ATOM 879 CA PRO A 56 84.566 13.985 -4.292 1.00 0.00 C ATOM 880 C PRO A 56 83.458 13.008 -4.690 1.00 0.00 C ATOM 881 O PRO A 56 82.756 13.210 -5.660 1.00 0.00 O ATOM 882 CB PRO A 56 84.069 15.429 -4.371 1.00 0.00 C ATOM 883 CG PRO A 56 85.178 16.202 -5.012 1.00 0.00 C ATOM 884 CD PRO A 56 85.957 15.240 -5.868 1.00 0.00 C ATOM 0 HA PRO A 56 84.875 13.705 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 56 83.153 15.497 -4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 56 83.841 15.820 -3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 56 84.779 17.017 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 56 85.821 16.651 -4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 56 85.635 15.280 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 56 87.023 15.467 -5.856 1.00 0.00 H new ATOM 892 N GLU A 57 83.296 11.949 -3.945 1.00 0.00 N ATOM 893 CA GLU A 57 82.233 10.959 -4.276 1.00 0.00 C ATOM 894 C GLU A 57 82.055 9.975 -3.117 1.00 0.00 C ATOM 895 O GLU A 57 81.814 8.803 -3.315 1.00 0.00 O ATOM 896 CB GLU A 57 82.739 10.233 -5.523 1.00 0.00 C ATOM 897 CG GLU A 57 81.635 10.209 -6.582 1.00 0.00 C ATOM 898 CD GLU A 57 82.225 10.580 -7.943 1.00 0.00 C ATOM 899 OE1 GLU A 57 82.244 11.758 -8.257 1.00 0.00 O ATOM 900 OE2 GLU A 57 82.648 9.679 -8.648 1.00 0.00 O ATOM 0 H GLU A 57 83.854 11.727 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 57 81.266 11.431 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.623 10.735 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 57 83.036 9.216 -5.269 1.00 0.00 H new ATOM 0 HG2 GLU A 57 81.182 9.219 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 57 80.844 10.909 -6.314 1.00 0.00 H new ATOM 907 N LEU A 58 82.174 10.447 -1.907 1.00 0.00 N ATOM 908 CA LEU A 58 82.015 9.541 -0.733 1.00 0.00 C ATOM 909 C LEU A 58 80.555 9.090 -0.600 1.00 0.00 C ATOM 910 O LEU A 58 80.221 8.285 0.246 1.00 0.00 O ATOM 911 CB LEU A 58 82.426 10.393 0.470 1.00 0.00 C ATOM 912 CG LEU A 58 83.954 10.434 0.587 1.00 0.00 C ATOM 913 CD1 LEU A 58 84.456 9.122 1.189 1.00 0.00 C ATOM 914 CD2 LEU A 58 84.581 10.632 -0.796 1.00 0.00 C ATOM 0 H LEU A 58 82.374 11.421 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 58 82.615 8.635 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.034 11.404 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 58 81.994 9.981 1.382 1.00 0.00 H new ATOM 0 HG LEU A 58 84.239 11.266 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 58 85.542 9.152 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.020 8.986 2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 58 84.164 8.292 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 58 85.667 10.660 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 58 84.294 9.806 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 58 84.229 11.571 -1.224 1.00 0.00 H new ATOM 926 N SER A 59 79.686 9.605 -1.427 1.00 0.00 N ATOM 927 CA SER A 59 78.249 9.208 -1.347 1.00 0.00 C ATOM 928 C SER A 59 78.086 7.706 -1.602 1.00 0.00 C ATOM 929 O SER A 59 77.374 7.023 -0.894 1.00 0.00 O ATOM 930 CB SER A 59 77.559 10.015 -2.445 1.00 0.00 C ATOM 931 OG SER A 59 76.328 10.529 -1.949 1.00 0.00 O ATOM 0 H SER A 59 79.908 10.284 -2.155 1.00 0.00 H new ATOM 0 HA SER A 59 77.825 9.403 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.203 10.832 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.379 9.385 -3.316 1.00 0.00 H new ATOM 0 HG SER A 59 75.884 11.049 -2.651 1.00 0.00 H new ATOM 937 N TYR A 60 78.734 7.184 -2.609 1.00 0.00 N ATOM 938 CA TYR A 60 78.600 5.725 -2.898 1.00 0.00 C ATOM 939 C TYR A 60 79.424 4.906 -1.899 1.00 0.00 C ATOM 940 O TYR A 60 79.099 3.775 -1.594 1.00 0.00 O ATOM 941 CB TYR A 60 79.117 5.545 -4.331 1.00 0.00 C ATOM 942 CG TYR A 60 80.628 5.471 -4.341 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.271 4.247 -4.116 1.00 0.00 C ATOM 944 CD2 TYR A 60 81.383 6.623 -4.584 1.00 0.00 C ATOM 945 CE1 TYR A 60 82.669 4.178 -4.132 1.00 0.00 C ATOM 946 CE2 TYR A 60 82.781 6.554 -4.600 1.00 0.00 C ATOM 947 CZ TYR A 60 83.424 5.332 -4.374 1.00 0.00 C ATOM 948 OH TYR A 60 84.803 5.264 -4.391 1.00 0.00 O ATOM 0 H TYR A 60 79.347 7.700 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 60 77.571 5.378 -2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 60 78.699 4.636 -4.764 1.00 0.00 H new ATOM 0 HB3 TYR A 60 78.783 6.376 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 60 80.688 3.357 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 60 80.887 7.566 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 60 83.165 3.235 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR A 60 83.363 7.444 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 60 85.172 6.153 -4.574 1.00 0.00 H new ATOM 958 N ILE A 61 80.483 5.467 -1.382 1.00 0.00 N ATOM 959 CA ILE A 61 81.314 4.714 -0.399 1.00 0.00 C ATOM 960 C ILE A 61 80.515 4.473 0.882 1.00 0.00 C ATOM 961 O ILE A 61 80.565 3.409 1.467 1.00 0.00 O ATOM 962 CB ILE A 61 82.516 5.613 -0.116 1.00 0.00 C ATOM 963 CG1 ILE A 61 83.437 5.629 -1.337 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.284 5.073 1.092 1.00 0.00 C ATOM 965 CD1 ILE A 61 83.959 4.215 -1.599 1.00 0.00 C ATOM 0 H ILE A 61 80.808 6.410 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 61 81.619 3.739 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 61 82.171 6.625 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 61 82.896 5.996 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 84.271 6.311 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.142 5.714 1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 61 82.629 5.058 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 61 83.629 4.061 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 61 84.616 4.225 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.515 3.865 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.119 3.546 -1.786 1.00 0.00 H new ATOM 977 N TRP A 62 79.775 5.453 1.319 1.00 0.00 N ATOM 978 CA TRP A 62 78.968 5.281 2.558 1.00 0.00 C ATOM 979 C TRP A 62 77.723 4.441 2.255 1.00 0.00 C ATOM 980 O TRP A 62 77.359 3.560 3.008 1.00 0.00 O ATOM 981 CB TRP A 62 78.576 6.700 2.973 1.00 0.00 C ATOM 982 CG TRP A 62 77.474 6.640 3.980 1.00 0.00 C ATOM 983 CD1 TRP A 62 76.158 6.758 3.696 1.00 0.00 C ATOM 984 CD2 TRP A 62 77.567 6.450 5.422 1.00 0.00 C ATOM 985 NE1 TRP A 62 75.435 6.650 4.871 1.00 0.00 N ATOM 986 CE2 TRP A 62 76.260 6.460 5.962 1.00 0.00 C ATOM 987 CE3 TRP A 62 78.649 6.272 6.304 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.033 6.298 7.330 1.00 0.00 C ATOM 989 CZ3 TRP A 62 78.424 6.108 7.681 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.119 6.122 8.193 1.00 0.00 C ATOM 0 H TRP A 62 79.694 6.366 0.871 1.00 0.00 H new ATOM 0 HA TRP A 62 79.516 4.766 3.347 1.00 0.00 H new ATOM 0 HB2 TRP A 62 79.438 7.218 3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 62 78.255 7.269 2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 62 75.739 6.912 2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 62 74.418 6.704 4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 62 79.658 6.261 5.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.026 6.309 7.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 79.261 5.970 8.349 1.00 0.00 H new ATOM 0 HH2 TRP A 62 76.953 5.997 9.253 1.00 0.00 H new ATOM 1001 N GLU A 63 77.072 4.703 1.153 1.00 0.00 N ATOM 1002 CA GLU A 63 75.856 3.914 0.800 1.00 0.00 C ATOM 1003 C GLU A 63 76.143 2.419 0.964 1.00 0.00 C ATOM 1004 O GLU A 63 75.286 1.650 1.349 1.00 0.00 O ATOM 1005 CB GLU A 63 75.574 4.248 -0.666 1.00 0.00 C ATOM 1006 CG GLU A 63 74.727 5.521 -0.748 1.00 0.00 C ATOM 1007 CD GLU A 63 73.638 5.342 -1.808 1.00 0.00 C ATOM 1008 OE1 GLU A 63 72.782 4.496 -1.611 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.679 6.055 -2.797 1.00 0.00 O ATOM 0 H GLU A 63 77.329 5.428 0.483 1.00 0.00 H new ATOM 0 HA GLU A 63 75.006 4.152 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 63 76.511 4.387 -1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.051 3.420 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.275 5.733 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.357 6.374 -0.999 1.00 0.00 H new ATOM 1016 N LEU A 64 77.347 2.006 0.677 1.00 0.00 N ATOM 1017 CA LEU A 64 77.697 0.563 0.819 1.00 0.00 C ATOM 1018 C LEU A 64 78.173 0.281 2.246 1.00 0.00 C ATOM 1019 O LEU A 64 78.042 -0.817 2.750 1.00 0.00 O ATOM 1020 CB LEU A 64 78.831 0.331 -0.179 1.00 0.00 C ATOM 1021 CG LEU A 64 78.324 0.593 -1.599 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.498 0.981 -2.500 1.00 0.00 C ATOM 1023 CD2 LEU A 64 77.663 -0.675 -2.144 1.00 0.00 C ATOM 0 H LEU A 64 78.105 2.606 0.350 1.00 0.00 H new ATOM 0 HA LEU A 64 76.847 -0.092 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.669 0.991 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.199 -0.692 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 64 77.598 1.406 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.135 1.167 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 79.971 1.883 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 64 80.225 0.169 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 64 77.301 -0.491 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 64 78.391 -1.486 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 64 76.826 -0.953 -1.504 1.00 0.00 H new ATOM 1035 N SER A 65 78.726 1.266 2.899 1.00 0.00 N ATOM 1036 CA SER A 65 79.212 1.060 4.293 1.00 0.00 C ATOM 1037 C SER A 65 78.028 0.889 5.248 1.00 0.00 C ATOM 1038 O SER A 65 78.161 0.343 6.326 1.00 0.00 O ATOM 1039 CB SER A 65 79.990 2.332 4.629 1.00 0.00 C ATOM 1040 OG SER A 65 80.764 2.113 5.801 1.00 0.00 O ATOM 0 H SER A 65 78.863 2.206 2.527 1.00 0.00 H new ATOM 0 HA SER A 65 79.827 0.165 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.639 2.606 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 65 79.302 3.163 4.784 1.00 0.00 H new ATOM 0 HG SER A 65 81.266 2.926 6.019 1.00 0.00 H new ATOM 1046 N ASP A 66 76.870 1.351 4.864 1.00 0.00 N ATOM 1047 CA ASP A 66 75.680 1.215 5.754 1.00 0.00 C ATOM 1048 C ASP A 66 74.722 0.153 5.207 1.00 0.00 C ATOM 1049 O ASP A 66 74.340 0.182 4.053 1.00 0.00 O ATOM 1050 CB ASP A 66 75.016 2.592 5.741 1.00 0.00 C ATOM 1051 CG ASP A 66 75.096 3.211 7.138 1.00 0.00 C ATOM 1052 OD1 ASP A 66 76.166 3.675 7.498 1.00 0.00 O ATOM 1053 OD2 ASP A 66 74.087 3.211 7.824 1.00 0.00 O ATOM 0 H ASP A 66 76.695 1.817 3.973 1.00 0.00 H new ATOM 0 HA ASP A 66 75.955 0.903 6.761 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.510 3.239 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 66 73.975 2.503 5.430 1.00 0.00 H new ATOM 1058 N ALA A 67 74.332 -0.786 6.025 1.00 0.00 N ATOM 1059 CA ALA A 67 73.403 -1.849 5.555 1.00 0.00 C ATOM 1060 C ALA A 67 71.950 -1.451 5.840 1.00 0.00 C ATOM 1061 O ALA A 67 71.032 -2.209 5.601 1.00 0.00 O ATOM 1062 CB ALA A 67 73.783 -3.093 6.358 1.00 0.00 C ATOM 0 H ALA A 67 74.618 -0.862 7.001 1.00 0.00 H new ATOM 0 HA ALA A 67 73.481 -2.017 4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 73.140 -3.924 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.823 -3.352 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 67 73.657 -2.892 7.422 1.00 0.00 H new ATOM 1068 N ASP A 68 71.735 -0.269 6.351 1.00 0.00 N ATOM 1069 CA ASP A 68 70.343 0.173 6.650 1.00 0.00 C ATOM 1070 C ASP A 68 70.365 1.651 7.016 1.00 0.00 C ATOM 1071 O ASP A 68 69.520 2.141 7.739 1.00 0.00 O ATOM 1072 CB ASP A 68 69.901 -0.674 7.844 1.00 0.00 C ATOM 1073 CG ASP A 68 70.958 -0.592 8.946 1.00 0.00 C ATOM 1074 OD1 ASP A 68 71.902 0.162 8.780 1.00 0.00 O ATOM 1075 OD2 ASP A 68 70.804 -1.286 9.940 1.00 0.00 O ATOM 0 H ASP A 68 72.463 0.410 6.574 1.00 0.00 H new ATOM 0 HA ASP A 68 69.665 0.049 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 68 68.941 -0.320 8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 68 69.761 -1.710 7.536 1.00 0.00 H new ATOM 1080 N CYS A 69 71.346 2.352 6.522 1.00 0.00 N ATOM 1081 CA CYS A 69 71.481 3.795 6.825 1.00 0.00 C ATOM 1082 C CYS A 69 71.087 4.073 8.274 1.00 0.00 C ATOM 1083 O CYS A 69 70.595 5.132 8.606 1.00 0.00 O ATOM 1084 CB CYS A 69 70.539 4.507 5.853 1.00 0.00 C ATOM 1085 SG CYS A 69 71.031 4.132 4.152 1.00 0.00 S ATOM 0 H CYS A 69 72.070 1.975 5.911 1.00 0.00 H new ATOM 0 HA CYS A 69 72.508 4.143 6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 69 69.512 4.186 6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 69 70.570 5.583 6.023 1.00 0.00 H new ATOM 0 HG CYS A 69 70.229 4.735 3.325 1.00 0.00 H new ATOM 1091 N ASP A 70 71.306 3.123 9.137 1.00 0.00 N ATOM 1092 CA ASP A 70 70.951 3.319 10.571 1.00 0.00 C ATOM 1093 C ASP A 70 71.837 4.404 11.183 1.00 0.00 C ATOM 1094 O ASP A 70 71.585 4.888 12.269 1.00 0.00 O ATOM 1095 CB ASP A 70 71.216 1.968 11.236 1.00 0.00 C ATOM 1096 CG ASP A 70 72.718 1.677 11.223 1.00 0.00 C ATOM 1097 OD1 ASP A 70 73.412 2.286 10.425 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.149 0.851 12.011 1.00 0.00 O ATOM 0 H ASP A 70 71.716 2.217 8.912 1.00 0.00 H new ATOM 0 HA ASP A 70 69.917 3.638 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.846 1.977 12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 70 70.678 1.180 10.709 1.00 0.00 H new ATOM 1103 N GLY A 71 72.875 4.791 10.494 1.00 0.00 N ATOM 1104 CA GLY A 71 73.778 5.846 11.035 1.00 0.00 C ATOM 1105 C GLY A 71 75.007 5.194 11.670 1.00 0.00 C ATOM 1106 O GLY A 71 76.092 5.741 11.648 1.00 0.00 O ATOM 0 H GLY A 71 73.137 4.422 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.084 6.521 10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.249 6.447 11.775 1.00 0.00 H new ATOM 1110 N ALA A 72 74.848 4.028 12.233 1.00 0.00 N ATOM 1111 CA ALA A 72 76.004 3.343 12.863 1.00 0.00 C ATOM 1112 C ALA A 72 76.555 2.277 11.915 1.00 0.00 C ATOM 1113 O ALA A 72 75.882 1.833 11.006 1.00 0.00 O ATOM 1114 CB ALA A 72 75.443 2.700 14.132 1.00 0.00 C ATOM 0 H ALA A 72 73.964 3.522 12.282 1.00 0.00 H new ATOM 0 HA ALA A 72 76.823 4.027 13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 72 76.240 2.172 14.656 1.00 0.00 H new ATOM 0 HB2 ALA A 72 75.033 3.474 14.781 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.656 1.995 13.865 1.00 0.00 H new ATOM 1120 N LEU A 73 77.773 1.866 12.119 1.00 0.00 N ATOM 1121 CA LEU A 73 78.369 0.831 11.227 1.00 0.00 C ATOM 1122 C LEU A 73 79.218 -0.149 12.040 1.00 0.00 C ATOM 1123 O LEU A 73 80.292 0.180 12.503 1.00 0.00 O ATOM 1124 CB LEU A 73 79.244 1.612 10.248 1.00 0.00 C ATOM 1125 CG LEU A 73 78.365 2.535 9.403 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.119 3.842 10.159 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.072 2.836 8.079 1.00 0.00 C ATOM 0 H LEU A 73 78.383 2.201 12.864 1.00 0.00 H new ATOM 0 HA LEU A 73 77.609 0.240 10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.985 2.197 10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.791 0.924 9.604 1.00 0.00 H new ATOM 0 HG LEU A 73 77.411 2.047 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.492 4.499 9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.617 3.628 11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.072 4.332 10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.448 3.494 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.026 3.324 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.246 1.905 7.540 1.00 0.00 H new ATOM 1139 N THR A 74 78.745 -1.352 12.215 1.00 0.00 N ATOM 1140 CA THR A 74 79.524 -2.355 12.996 1.00 0.00 C ATOM 1141 C THR A 74 80.872 -2.619 12.320 1.00 0.00 C ATOM 1142 O THR A 74 81.168 -2.075 11.275 1.00 0.00 O ATOM 1143 CB THR A 74 78.665 -3.621 12.982 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.643 -4.161 11.667 1.00 0.00 O ATOM 1145 CG2 THR A 74 77.241 -3.277 13.422 1.00 0.00 C ATOM 0 H THR A 74 77.852 -1.684 11.851 1.00 0.00 H new ATOM 0 HA THR A 74 79.736 -2.015 14.010 1.00 0.00 H new ATOM 0 HB THR A 74 79.086 -4.356 13.668 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.095 -4.973 11.656 1.00 0.00 H new ATOM 0 HG21 THR A 74 76.629 -4.179 13.412 1.00 0.00 H new ATOM 0 HG22 THR A 74 77.262 -2.864 14.430 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.816 -2.543 12.738 1.00 0.00 H new ATOM 1153 N LEU A 75 81.687 -3.452 12.905 1.00 0.00 N ATOM 1154 CA LEU A 75 83.009 -3.751 12.285 1.00 0.00 C ATOM 1155 C LEU A 75 82.802 -4.230 10.847 1.00 0.00 C ATOM 1156 O LEU A 75 83.421 -3.732 9.928 1.00 0.00 O ATOM 1157 CB LEU A 75 83.612 -4.863 13.145 1.00 0.00 C ATOM 1158 CG LEU A 75 84.991 -4.430 13.643 1.00 0.00 C ATOM 1159 CD1 LEU A 75 84.841 -3.222 14.567 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.640 -5.583 14.412 1.00 0.00 C ATOM 0 H LEU A 75 81.497 -3.937 13.782 1.00 0.00 H new ATOM 0 HA LEU A 75 83.662 -2.879 12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 75 82.959 -5.078 13.991 1.00 0.00 H new ATOM 0 HB3 LEU A 75 83.695 -5.782 12.565 1.00 0.00 H new ATOM 0 HG LEU A 75 85.618 -4.162 12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.823 -2.912 14.923 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.378 -2.401 14.020 1.00 0.00 H new ATOM 0 HD13 LEU A 75 84.215 -3.490 15.418 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.623 -5.275 14.768 1.00 0.00 H new ATOM 0 HD22 LEU A 75 85.014 -5.851 15.263 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.746 -6.445 13.754 1.00 0.00 H new ATOM 1172 N PRO A 76 81.923 -5.185 10.706 1.00 0.00 N ATOM 1173 CA PRO A 76 81.611 -5.740 9.369 1.00 0.00 C ATOM 1174 C PRO A 76 81.257 -4.613 8.394 1.00 0.00 C ATOM 1175 O PRO A 76 81.481 -4.715 7.205 1.00 0.00 O ATOM 1176 CB PRO A 76 80.404 -6.642 9.618 1.00 0.00 C ATOM 1177 CG PRO A 76 80.433 -6.954 11.081 1.00 0.00 C ATOM 1178 CD PRO A 76 81.143 -5.821 11.771 1.00 0.00 C ATOM 0 HA PRO A 76 82.449 -6.277 8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 76 79.476 -6.141 9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.465 -7.552 9.021 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.421 -7.065 11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.949 -7.897 11.262 1.00 0.00 H new ATOM 0 HD2 PRO A 76 80.437 -5.122 12.219 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.786 -6.183 12.573 1.00 0.00 H new ATOM 1186 N GLU A 77 80.707 -3.537 8.889 1.00 0.00 N ATOM 1187 CA GLU A 77 80.345 -2.406 7.987 1.00 0.00 C ATOM 1188 C GLU A 77 81.602 -1.620 7.611 1.00 0.00 C ATOM 1189 O GLU A 77 81.723 -1.106 6.515 1.00 0.00 O ATOM 1190 CB GLU A 77 79.390 -1.535 8.804 1.00 0.00 C ATOM 1191 CG GLU A 77 78.023 -2.214 8.884 1.00 0.00 C ATOM 1192 CD GLU A 77 76.924 -1.188 8.601 1.00 0.00 C ATOM 1193 OE1 GLU A 77 77.253 -0.024 8.446 1.00 0.00 O ATOM 1194 OE2 GLU A 77 75.771 -1.583 8.547 1.00 0.00 O ATOM 0 H GLU A 77 80.493 -3.392 9.876 1.00 0.00 H new ATOM 0 HA GLU A 77 79.887 -2.744 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.790 -1.379 9.806 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.293 -0.552 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 77 77.968 -3.029 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 77 77.880 -2.652 9.872 1.00 0.00 H new ATOM 1201 N PHE A 78 82.541 -1.526 8.512 1.00 0.00 N ATOM 1202 CA PHE A 78 83.793 -0.777 8.212 1.00 0.00 C ATOM 1203 C PHE A 78 84.743 -1.647 7.382 1.00 0.00 C ATOM 1204 O PHE A 78 85.701 -1.165 6.810 1.00 0.00 O ATOM 1205 CB PHE A 78 84.405 -0.467 9.579 1.00 0.00 C ATOM 1206 CG PHE A 78 85.833 -0.016 9.400 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.834 -0.957 9.129 1.00 0.00 C ATOM 1208 CD2 PHE A 78 86.158 1.342 9.501 1.00 0.00 C ATOM 1209 CE1 PHE A 78 88.159 -0.539 8.960 1.00 0.00 C ATOM 1210 CE2 PHE A 78 87.483 1.760 9.331 1.00 0.00 C ATOM 1211 CZ PHE A 78 88.484 0.818 9.060 1.00 0.00 C ATOM 0 H PHE A 78 82.495 -1.937 9.445 1.00 0.00 H new ATOM 0 HA PHE A 78 83.606 0.128 7.635 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.827 0.310 10.080 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.369 -1.352 10.215 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.584 -2.005 9.050 1.00 0.00 H new ATOM 0 HD2 PHE A 78 85.386 2.068 9.710 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.931 -1.265 8.752 1.00 0.00 H new ATOM 0 HE2 PHE A 78 87.733 2.808 9.409 1.00 0.00 H new ATOM 0 HZ PHE A 78 89.507 1.139 8.928 1.00 0.00 H new ATOM 1221 N CYS A 79 84.486 -2.926 7.314 1.00 0.00 N ATOM 1222 CA CYS A 79 85.375 -3.824 6.523 1.00 0.00 C ATOM 1223 C CYS A 79 85.267 -3.499 5.031 1.00 0.00 C ATOM 1224 O CYS A 79 86.255 -3.267 4.363 1.00 0.00 O ATOM 1225 CB CYS A 79 84.860 -5.238 6.800 1.00 0.00 C ATOM 1226 SG CYS A 79 86.025 -6.107 7.878 1.00 0.00 S ATOM 0 H CYS A 79 83.700 -3.387 7.772 1.00 0.00 H new ATOM 0 HA CYS A 79 86.424 -3.710 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 79 83.878 -5.193 7.270 1.00 0.00 H new ATOM 0 HB3 CYS A 79 84.740 -5.782 5.863 1.00 0.00 H new ATOM 0 HG CYS A 79 85.493 -6.265 9.054 1.00 0.00 H new ATOM 1232 N ALA A 80 84.074 -3.481 4.501 1.00 0.00 N ATOM 1233 CA ALA A 80 83.908 -3.172 3.052 1.00 0.00 C ATOM 1234 C ALA A 80 84.117 -1.679 2.801 1.00 0.00 C ATOM 1235 O ALA A 80 84.698 -1.281 1.810 1.00 0.00 O ATOM 1236 CB ALA A 80 82.469 -3.574 2.723 1.00 0.00 C ATOM 0 H ALA A 80 83.209 -3.667 5.008 1.00 0.00 H new ATOM 0 HA ALA A 80 84.632 -3.702 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.268 -3.377 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.333 -4.636 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 80 81.780 -2.996 3.339 1.00 0.00 H new ATOM 1242 N ALA A 81 83.650 -0.851 3.690 1.00 0.00 N ATOM 1243 CA ALA A 81 83.820 0.618 3.505 1.00 0.00 C ATOM 1244 C ALA A 81 85.298 0.955 3.289 1.00 0.00 C ATOM 1245 O ALA A 81 85.658 1.641 2.354 1.00 0.00 O ATOM 1246 CB ALA A 81 83.310 1.244 4.803 1.00 0.00 C ATOM 0 H ALA A 81 83.157 -1.127 4.539 1.00 0.00 H new ATOM 0 HA ALA A 81 83.279 0.990 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.402 2.329 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.264 0.976 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 81 83.900 0.874 5.642 1.00 0.00 H new ATOM 1252 N PHE A 82 86.154 0.478 4.151 1.00 0.00 N ATOM 1253 CA PHE A 82 87.608 0.773 3.998 1.00 0.00 C ATOM 1254 C PHE A 82 88.205 -0.063 2.862 1.00 0.00 C ATOM 1255 O PHE A 82 89.135 0.348 2.198 1.00 0.00 O ATOM 1256 CB PHE A 82 88.234 0.377 5.335 1.00 0.00 C ATOM 1257 CG PHE A 82 88.961 1.562 5.923 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.238 2.602 6.519 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.359 1.622 5.872 1.00 0.00 C ATOM 1260 CE1 PHE A 82 88.913 3.702 7.064 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.034 2.721 6.417 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.310 3.761 7.013 1.00 0.00 C ATOM 0 H PHE A 82 85.910 -0.102 4.954 1.00 0.00 H new ATOM 0 HA PHE A 82 87.791 1.819 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.461 0.034 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 82 88.926 -0.453 5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.160 2.556 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 82 90.917 0.820 5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 82 88.355 4.504 7.524 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.112 2.767 6.378 1.00 0.00 H new ATOM 0 HZ PHE A 82 90.830 4.609 7.433 1.00 0.00 H new ATOM 1272 N HIS A 83 87.678 -1.236 2.635 1.00 0.00 N ATOM 1273 CA HIS A 83 88.217 -2.099 1.544 1.00 0.00 C ATOM 1274 C HIS A 83 88.018 -1.425 0.185 1.00 0.00 C ATOM 1275 O HIS A 83 88.658 -1.769 -0.789 1.00 0.00 O ATOM 1276 CB HIS A 83 87.403 -3.392 1.627 1.00 0.00 C ATOM 1277 CG HIS A 83 88.153 -4.406 2.446 1.00 0.00 C ATOM 1278 ND1 HIS A 83 87.515 -5.257 3.335 1.00 0.00 N ATOM 1279 CD2 HIS A 83 89.488 -4.716 2.522 1.00 0.00 C ATOM 1280 CE1 HIS A 83 88.458 -6.033 3.901 1.00 0.00 C ATOM 1281 NE2 HIS A 83 89.679 -5.744 3.442 1.00 0.00 N ATOM 0 H HIS A 83 86.898 -1.634 3.158 1.00 0.00 H new ATOM 0 HA HIS A 83 89.286 -2.281 1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 83 86.430 -3.193 2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 83 87.218 -3.782 0.626 1.00 0.00 H new ATOM 0 HD1 HIS A 83 86.513 -5.289 3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 83 90.271 -4.236 1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 83 88.253 -6.796 4.637 1.00 0.00 H new ATOM 0 HE2 HIS A 83 90.561 -6.182 3.708 1.00 0.00 H new ATOM 1289 N LEU A 84 87.134 -0.468 0.110 1.00 0.00 N ATOM 1290 CA LEU A 84 86.896 0.226 -1.187 1.00 0.00 C ATOM 1291 C LEU A 84 87.797 1.456 -1.305 1.00 0.00 C ATOM 1292 O LEU A 84 88.477 1.647 -2.294 1.00 0.00 O ATOM 1293 CB LEU A 84 85.425 0.638 -1.147 1.00 0.00 C ATOM 1294 CG LEU A 84 84.549 -0.616 -1.097 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.092 -0.213 -0.870 1.00 0.00 C ATOM 1296 CD2 LEU A 84 84.669 -1.370 -2.423 1.00 0.00 C ATOM 0 H LEU A 84 86.567 -0.137 0.890 1.00 0.00 H new ATOM 0 HA LEU A 84 87.119 -0.410 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 84 85.234 1.264 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 84 85.178 1.233 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 84 84.878 -1.258 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.469 -1.106 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.007 0.327 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.760 0.428 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 84 84.046 -2.264 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 84 84.339 -0.727 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 84 85.708 -1.657 -2.586 1.00 0.00 H new ATOM 1308 N ILE A 85 87.812 2.293 -0.304 1.00 0.00 N ATOM 1309 CA ILE A 85 88.673 3.509 -0.361 1.00 0.00 C ATOM 1310 C ILE A 85 90.107 3.122 -0.728 1.00 0.00 C ATOM 1311 O ILE A 85 90.634 3.539 -1.741 1.00 0.00 O ATOM 1312 CB ILE A 85 88.622 4.096 1.050 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.260 4.757 1.278 1.00 0.00 C ATOM 1314 CG2 ILE A 85 89.728 5.140 1.209 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.566 4.096 2.469 1.00 0.00 C ATOM 0 H ILE A 85 87.266 2.188 0.551 1.00 0.00 H new ATOM 0 HA ILE A 85 88.333 4.222 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 85 88.767 3.300 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.388 5.823 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.643 4.661 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 85 89.692 5.558 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.698 4.670 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 85 89.584 5.937 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.596 4.566 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.425 3.035 2.265 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.181 4.215 3.361 1.00 0.00 H new ATOM 1327 N VAL A 86 90.742 2.326 0.088 1.00 0.00 N ATOM 1328 CA VAL A 86 92.142 1.911 -0.210 1.00 0.00 C ATOM 1329 C VAL A 86 92.195 1.128 -1.526 1.00 0.00 C ATOM 1330 O VAL A 86 93.203 1.100 -2.203 1.00 0.00 O ATOM 1331 CB VAL A 86 92.544 1.017 0.963 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.788 0.207 0.593 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.851 1.889 2.183 1.00 0.00 C ATOM 0 H VAL A 86 90.351 1.945 0.949 1.00 0.00 H new ATOM 0 HA VAL A 86 92.812 2.764 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 86 91.725 0.335 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 86 94.071 -0.429 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 86 93.572 -0.414 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.608 0.886 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 86 93.138 1.254 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 86 93.669 2.570 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.965 2.465 2.451 1.00 0.00 H new ATOM 1343 N ALA A 87 91.117 0.490 -1.890 1.00 0.00 N ATOM 1344 CA ALA A 87 91.107 -0.293 -3.160 1.00 0.00 C ATOM 1345 C ALA A 87 91.692 0.539 -4.306 1.00 0.00 C ATOM 1346 O ALA A 87 92.414 0.037 -5.143 1.00 0.00 O ATOM 1347 CB ALA A 87 89.633 -0.605 -3.420 1.00 0.00 C ATOM 0 H ALA A 87 90.243 0.476 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 87 91.710 -1.198 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.540 -1.181 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.231 -1.183 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 87 89.076 0.327 -3.517 1.00 0.00 H new ATOM 1353 N ARG A 88 91.385 1.807 -4.349 1.00 0.00 N ATOM 1354 CA ARG A 88 91.923 2.667 -5.442 1.00 0.00 C ATOM 1355 C ARG A 88 93.417 2.932 -5.225 1.00 0.00 C ATOM 1356 O ARG A 88 94.197 2.942 -6.156 1.00 0.00 O ATOM 1357 CB ARG A 88 91.128 3.970 -5.348 1.00 0.00 C ATOM 1358 CG ARG A 88 89.741 3.767 -5.960 1.00 0.00 C ATOM 1359 CD ARG A 88 89.093 5.129 -6.220 1.00 0.00 C ATOM 1360 NE ARG A 88 88.616 5.064 -7.629 1.00 0.00 N ATOM 1361 CZ ARG A 88 88.053 6.106 -8.177 1.00 0.00 C ATOM 1362 NH1 ARG A 88 86.964 6.607 -7.661 1.00 0.00 N ATOM 1363 NH2 ARG A 88 88.582 6.651 -9.239 1.00 0.00 N ATOM 0 H ARG A 88 90.786 2.284 -3.676 1.00 0.00 H new ATOM 0 HA ARG A 88 91.825 2.198 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 88 91.036 4.278 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 88 91.655 4.768 -5.871 1.00 0.00 H new ATOM 0 HG2 ARG A 88 89.821 3.207 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 88 89.118 3.178 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 88 88.268 5.312 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 88 89.809 5.940 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 88 88.729 4.204 -8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 88 86.553 6.184 -6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 88 86.524 7.421 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 88 89.435 6.262 -9.640 1.00 0.00 H new ATOM 0 HH22 ARG A 88 88.142 7.465 -9.667 1.00 0.00 H new ATOM 1377 N LYS A 89 93.818 3.149 -4.002 1.00 0.00 N ATOM 1378 CA LYS A 89 95.260 3.416 -3.725 1.00 0.00 C ATOM 1379 C LYS A 89 96.115 2.230 -4.177 1.00 0.00 C ATOM 1380 O LYS A 89 97.223 2.395 -4.647 1.00 0.00 O ATOM 1381 CB LYS A 89 95.345 3.591 -2.209 1.00 0.00 C ATOM 1382 CG LYS A 89 96.134 4.861 -1.884 1.00 0.00 C ATOM 1383 CD LYS A 89 97.486 4.821 -2.597 1.00 0.00 C ATOM 1384 CE LYS A 89 97.558 5.959 -3.619 1.00 0.00 C ATOM 1385 NZ LYS A 89 98.525 5.489 -4.650 1.00 0.00 N ATOM 0 H LYS A 89 93.211 3.153 -3.183 1.00 0.00 H new ATOM 0 HA LYS A 89 95.627 4.293 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 89 94.344 3.654 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 89 95.829 2.724 -1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 89 95.572 5.741 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 89 96.282 4.944 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 89 98.294 4.917 -1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 89 97.618 3.861 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS A 89 96.580 6.159 -4.057 1.00 0.00 H new ATOM 0 HE3 LYS A 89 97.895 6.886 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 98.628 6.216 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 99.449 5.313 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 98.174 4.609 -5.079 1.00 0.00 H new ATOM 1399 N ASN A 90 95.612 1.035 -4.036 1.00 0.00 N ATOM 1400 CA ASN A 90 96.400 -0.159 -4.457 1.00 0.00 C ATOM 1401 C ASN A 90 96.456 -0.242 -5.984 1.00 0.00 C ATOM 1402 O ASN A 90 97.315 -0.888 -6.550 1.00 0.00 O ATOM 1403 CB ASN A 90 95.642 -1.356 -3.880 1.00 0.00 C ATOM 1404 CG ASN A 90 96.237 -1.728 -2.520 1.00 0.00 C ATOM 1405 OD1 ASN A 90 97.420 -1.979 -2.410 1.00 0.00 O ATOM 1406 ND2 ASN A 90 95.460 -1.774 -1.472 1.00 0.00 N ATOM 0 H ASN A 90 94.691 0.833 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 90 97.431 -0.121 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 90 94.585 -1.113 -3.772 1.00 0.00 H new ATOM 0 HB3 ASN A 90 95.707 -2.204 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 90 95.847 -2.021 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 90 94.466 -1.563 -1.564 1.00 0.00 H new ATOM 1413 N GLY A 91 95.547 0.410 -6.656 1.00 0.00 N ATOM 1414 CA GLY A 91 95.550 0.371 -8.146 1.00 0.00 C ATOM 1415 C GLY A 91 94.243 -0.244 -8.645 1.00 0.00 C ATOM 1416 O GLY A 91 93.771 0.069 -9.721 1.00 0.00 O ATOM 0 H GLY A 91 94.803 0.968 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 91 95.666 1.378 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 91 96.398 -0.213 -8.503 1.00 0.00 H new ATOM 1420 N TYR A 92 93.654 -1.117 -7.875 1.00 0.00 N ATOM 1421 CA TYR A 92 92.375 -1.753 -8.308 1.00 0.00 C ATOM 1422 C TYR A 92 91.450 -0.707 -8.936 1.00 0.00 C ATOM 1423 O TYR A 92 90.824 0.067 -8.241 1.00 0.00 O ATOM 1424 CB TYR A 92 91.760 -2.317 -7.027 1.00 0.00 C ATOM 1425 CG TYR A 92 92.761 -3.216 -6.345 1.00 0.00 C ATOM 1426 CD1 TYR A 92 93.523 -4.114 -7.101 1.00 0.00 C ATOM 1427 CD2 TYR A 92 92.930 -3.151 -4.956 1.00 0.00 C ATOM 1428 CE1 TYR A 92 94.455 -4.947 -6.470 1.00 0.00 C ATOM 1429 CE2 TYR A 92 93.861 -3.985 -4.325 1.00 0.00 C ATOM 1430 CZ TYR A 92 94.624 -4.882 -5.082 1.00 0.00 C ATOM 1431 OH TYR A 92 95.542 -5.704 -4.460 1.00 0.00 O ATOM 0 H TYR A 92 94.002 -1.418 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 92 92.531 -2.527 -9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 92 91.471 -1.504 -6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 92 90.853 -2.875 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 92 93.392 -4.165 -8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 92 92.343 -2.458 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 92 95.043 -5.639 -7.054 1.00 0.00 H new ATOM 0 HE2 TYR A 92 93.991 -3.936 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 92 95.535 -5.531 -3.495 1.00 0.00 H new ATOM 1441 N PRO A 93 91.402 -0.721 -10.240 1.00 0.00 N ATOM 1442 CA PRO A 93 90.551 0.240 -10.982 1.00 0.00 C ATOM 1443 C PRO A 93 89.068 -0.101 -10.798 1.00 0.00 C ATOM 1444 O PRO A 93 88.520 -0.921 -11.507 1.00 0.00 O ATOM 1445 CB PRO A 93 90.970 0.054 -12.438 1.00 0.00 C ATOM 1446 CG PRO A 93 91.590 -1.308 -12.503 1.00 0.00 C ATOM 1447 CD PRO A 93 92.135 -1.623 -11.135 1.00 0.00 C ATOM 0 HA PRO A 93 90.674 1.267 -10.637 1.00 0.00 H new ATOM 0 HB2 PRO A 93 90.112 0.127 -13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 93 91.679 0.823 -12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 93 90.851 -2.052 -12.802 1.00 0.00 H new ATOM 0 HG3 PRO A 93 92.386 -1.332 -13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 93 91.969 -2.667 -10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 93 93.210 -1.448 -11.084 1.00 0.00 H new ATOM 1455 N LEU A 94 88.415 0.524 -9.857 1.00 0.00 N ATOM 1456 CA LEU A 94 86.969 0.236 -9.637 1.00 0.00 C ATOM 1457 C LEU A 94 86.112 1.358 -10.231 1.00 0.00 C ATOM 1458 O LEU A 94 86.061 2.448 -9.697 1.00 0.00 O ATOM 1459 CB LEU A 94 86.801 0.180 -8.118 1.00 0.00 C ATOM 1460 CG LEU A 94 85.916 -1.011 -7.744 1.00 0.00 C ATOM 1461 CD1 LEU A 94 86.724 -2.010 -6.914 1.00 0.00 C ATOM 1462 CD2 LEU A 94 84.720 -0.519 -6.925 1.00 0.00 C ATOM 0 H LEU A 94 88.819 1.221 -9.232 1.00 0.00 H new ATOM 0 HA LEU A 94 86.655 -0.692 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 94 87.775 0.088 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 94 86.354 1.106 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 94 85.561 -1.498 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 94 86.092 -2.858 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 94 87.576 -2.361 -7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 94 87.080 -1.524 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.089 -1.366 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 94 85.076 -0.032 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.142 0.192 -7.516 1.00 0.00 H new ATOM 1474 N PRO A 95 85.468 1.049 -11.324 1.00 0.00 N ATOM 1475 CA PRO A 95 84.603 2.043 -12.006 1.00 0.00 C ATOM 1476 C PRO A 95 83.588 2.639 -11.024 1.00 0.00 C ATOM 1477 O PRO A 95 83.478 3.841 -10.886 1.00 0.00 O ATOM 1478 CB PRO A 95 83.901 1.233 -13.094 1.00 0.00 C ATOM 1479 CG PRO A 95 84.769 0.035 -13.315 1.00 0.00 C ATOM 1480 CD PRO A 95 85.486 -0.241 -12.021 1.00 0.00 C ATOM 0 HA PRO A 95 85.163 2.887 -12.409 1.00 0.00 H new ATOM 0 HB2 PRO A 95 82.899 0.940 -12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 95 83.793 1.815 -14.009 1.00 0.00 H new ATOM 0 HG2 PRO A 95 84.169 -0.825 -13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 95 85.482 0.220 -14.118 1.00 0.00 H new ATOM 0 HD2 PRO A 95 84.981 -1.015 -11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 95 86.505 -0.587 -12.195 1.00 0.00 H new ATOM 1488 N GLU A 96 82.846 1.810 -10.339 1.00 0.00 N ATOM 1489 CA GLU A 96 81.842 2.340 -9.370 1.00 0.00 C ATOM 1490 C GLU A 96 81.121 1.188 -8.664 1.00 0.00 C ATOM 1491 O GLU A 96 81.100 0.071 -9.141 1.00 0.00 O ATOM 1492 CB GLU A 96 80.857 3.144 -10.218 1.00 0.00 C ATOM 1493 CG GLU A 96 80.936 4.624 -9.831 1.00 0.00 C ATOM 1494 CD GLU A 96 79.577 5.286 -10.069 1.00 0.00 C ATOM 1495 OE1 GLU A 96 79.149 5.323 -11.210 1.00 0.00 O ATOM 1496 OE2 GLU A 96 78.988 5.748 -9.105 1.00 0.00 O ATOM 0 H GLU A 96 82.891 0.793 -10.408 1.00 0.00 H new ATOM 0 HA GLU A 96 82.305 2.948 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 96 81.088 3.021 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 96 79.844 2.772 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 96 81.222 4.722 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 96 81.705 5.125 -10.420 1.00 0.00 H new ATOM 1503 N GLY A 97 80.525 1.459 -7.535 1.00 0.00 N ATOM 1504 CA GLY A 97 79.797 0.390 -6.791 1.00 0.00 C ATOM 1505 C GLY A 97 80.604 -0.910 -6.828 1.00 0.00 C ATOM 1506 O GLY A 97 81.670 -1.008 -6.255 1.00 0.00 O ATOM 0 H GLY A 97 80.511 2.378 -7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 97 79.635 0.699 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 97 78.814 0.231 -7.234 1.00 0.00 H new ATOM 1510 N LEU A 98 80.100 -1.909 -7.499 1.00 0.00 N ATOM 1511 CA LEU A 98 80.832 -3.206 -7.576 1.00 0.00 C ATOM 1512 C LEU A 98 81.009 -3.614 -9.042 1.00 0.00 C ATOM 1513 O LEU A 98 80.510 -2.950 -9.929 1.00 0.00 O ATOM 1514 CB LEU A 98 79.936 -4.199 -6.831 1.00 0.00 C ATOM 1515 CG LEU A 98 78.736 -4.569 -7.706 1.00 0.00 C ATOM 1516 CD1 LEU A 98 78.980 -5.931 -8.359 1.00 0.00 C ATOM 1517 CD2 LEU A 98 77.479 -4.639 -6.837 1.00 0.00 C ATOM 0 H LEU A 98 79.211 -1.883 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 98 81.830 -3.159 -7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 98 80.503 -5.095 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 98 79.593 -3.762 -5.893 1.00 0.00 H new ATOM 0 HG LEU A 98 78.604 -3.814 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 98 78.125 -6.194 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 98 79.878 -5.883 -8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 98 79.111 -6.687 -7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 98 76.622 -4.902 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 98 77.613 -5.395 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 98 77.305 -3.669 -6.370 1.00 0.00 H new ATOM 1529 N PRO A 99 81.717 -4.693 -9.251 1.00 0.00 N ATOM 1530 CA PRO A 99 81.957 -5.183 -10.631 1.00 0.00 C ATOM 1531 C PRO A 99 80.636 -5.283 -11.399 1.00 0.00 C ATOM 1532 O PRO A 99 79.609 -4.839 -10.927 1.00 0.00 O ATOM 1533 CB PRO A 99 82.577 -6.562 -10.423 1.00 0.00 C ATOM 1534 CG PRO A 99 83.171 -6.521 -9.050 1.00 0.00 C ATOM 1535 CD PRO A 99 82.356 -5.545 -8.241 1.00 0.00 C ATOM 0 HA PRO A 99 82.597 -4.522 -11.216 1.00 0.00 H new ATOM 0 HB2 PRO A 99 81.826 -7.348 -10.504 1.00 0.00 H new ATOM 0 HB3 PRO A 99 83.338 -6.769 -11.175 1.00 0.00 H new ATOM 0 HG2 PRO A 99 83.152 -7.510 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 99 84.215 -6.209 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 99 81.617 -6.057 -7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 99 82.984 -4.963 -7.567 1.00 0.00 H new ATOM 1543 N PRO A 100 80.717 -5.850 -12.572 1.00 0.00 N ATOM 1544 CA PRO A 100 79.526 -6.000 -13.440 1.00 0.00 C ATOM 1545 C PRO A 100 78.690 -7.216 -13.017 1.00 0.00 C ATOM 1546 O PRO A 100 78.392 -8.079 -13.818 1.00 0.00 O ATOM 1547 CB PRO A 100 80.113 -6.219 -14.840 1.00 0.00 C ATOM 1548 CG PRO A 100 81.610 -6.237 -14.679 1.00 0.00 C ATOM 1549 CD PRO A 100 81.915 -6.374 -13.212 1.00 0.00 C ATOM 0 HA PRO A 100 78.862 -5.137 -13.387 1.00 0.00 H new ATOM 0 HB2 PRO A 100 79.758 -7.157 -15.267 1.00 0.00 H new ATOM 0 HB3 PRO A 100 79.805 -5.423 -15.518 1.00 0.00 H new ATOM 0 HG2 PRO A 100 82.044 -7.066 -15.238 1.00 0.00 H new ATOM 0 HG3 PRO A 100 82.048 -5.321 -15.076 1.00 0.00 H new ATOM 0 HD2 PRO A 100 82.099 -7.412 -12.934 1.00 0.00 H new ATOM 0 HD3 PRO A 100 82.802 -5.807 -12.931 1.00 0.00 H new ATOM 1557 N THR A 101 78.303 -7.287 -11.772 1.00 0.00 N ATOM 1558 CA THR A 101 77.482 -8.443 -11.308 1.00 0.00 C ATOM 1559 C THR A 101 78.007 -9.750 -11.907 1.00 0.00 C ATOM 1560 O THR A 101 77.246 -10.599 -12.328 1.00 0.00 O ATOM 1561 CB THR A 101 76.070 -8.150 -11.816 1.00 0.00 C ATOM 1562 OG1 THR A 101 76.053 -8.233 -13.235 1.00 0.00 O ATOM 1563 CG2 THR A 101 75.649 -6.745 -11.381 1.00 0.00 C ATOM 0 H THR A 101 78.520 -6.594 -11.055 1.00 0.00 H new ATOM 0 HA THR A 101 77.514 -8.561 -10.225 1.00 0.00 H new ATOM 0 HB THR A 101 75.375 -8.879 -11.399 1.00 0.00 H new ATOM 0 HG1 THR A 101 76.903 -8.603 -13.551 1.00 0.00 H new ATOM 0 HG21 THR A 101 74.642 -6.538 -11.744 1.00 0.00 H new ATOM 0 HG22 THR A 101 75.662 -6.682 -10.293 1.00 0.00 H new ATOM 0 HG23 THR A 101 76.342 -6.013 -11.796 1.00 0.00 H new ATOM 1571 N LEU A 102 79.300 -9.922 -11.948 1.00 0.00 N ATOM 1572 CA LEU A 102 79.866 -11.177 -12.519 1.00 0.00 C ATOM 1573 C LEU A 102 80.706 -11.906 -11.467 1.00 0.00 C ATOM 1574 O LEU A 102 80.246 -12.828 -10.823 1.00 0.00 O ATOM 1575 CB LEU A 102 80.740 -10.724 -13.689 1.00 0.00 C ATOM 1576 CG LEU A 102 81.428 -11.940 -14.312 1.00 0.00 C ATOM 1577 CD1 LEU A 102 80.399 -12.768 -15.087 1.00 0.00 C ATOM 1578 CD2 LEU A 102 82.526 -11.471 -15.268 1.00 0.00 C ATOM 0 H LEU A 102 79.988 -9.249 -11.611 1.00 0.00 H new ATOM 0 HA LEU A 102 79.089 -11.872 -12.839 1.00 0.00 H new ATOM 0 HB2 LEU A 102 80.131 -10.215 -14.436 1.00 0.00 H new ATOM 0 HB3 LEU A 102 81.486 -10.008 -13.344 1.00 0.00 H new ATOM 0 HG LEU A 102 81.868 -12.551 -13.524 1.00 0.00 H new ATOM 0 HD11 LEU A 102 80.889 -13.634 -15.531 1.00 0.00 H new ATOM 0 HD12 LEU A 102 79.615 -13.103 -14.408 1.00 0.00 H new ATOM 0 HD13 LEU A 102 79.959 -12.157 -15.875 1.00 0.00 H new ATOM 0 HD21 LEU A 102 83.016 -12.337 -15.712 1.00 0.00 H new ATOM 0 HD22 LEU A 102 82.086 -10.860 -16.056 1.00 0.00 H new ATOM 0 HD23 LEU A 102 83.259 -10.881 -14.718 1.00 0.00 H new ATOM 1590 N GLN A 103 81.933 -11.499 -11.284 1.00 0.00 N ATOM 1591 CA GLN A 103 82.798 -12.169 -10.273 1.00 0.00 C ATOM 1592 C GLN A 103 84.145 -11.448 -10.171 1.00 0.00 C ATOM 1593 O GLN A 103 84.550 -10.757 -11.085 1.00 0.00 O ATOM 1594 CB GLN A 103 82.984 -13.596 -10.791 1.00 0.00 C ATOM 1595 CG GLN A 103 83.969 -13.597 -11.962 1.00 0.00 C ATOM 1596 CD GLN A 103 84.291 -15.039 -12.357 1.00 0.00 C ATOM 1597 OE1 GLN A 103 85.419 -15.356 -12.677 1.00 0.00 O ATOM 1598 NE2 GLN A 103 83.340 -15.931 -12.345 1.00 0.00 N ATOM 0 H GLN A 103 82.373 -10.731 -11.791 1.00 0.00 H new ATOM 0 HA GLN A 103 82.357 -12.156 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 103 83.354 -14.238 -9.992 1.00 0.00 H new ATOM 0 HB3 GLN A 103 82.025 -14.005 -11.110 1.00 0.00 H new ATOM 0 HG2 GLN A 103 83.542 -13.063 -12.811 1.00 0.00 H new ATOM 0 HG3 GLN A 103 84.883 -13.073 -11.683 1.00 0.00 H new ATOM 0 HE21 GLN A 103 82.393 -15.663 -12.076 1.00 0.00 H new ATOM 0 HE22 GLN A 103 83.543 -16.896 -12.605 1.00 0.00 H new ATOM 1607 N PRO A 104 84.795 -11.637 -9.054 1.00 0.00 N ATOM 1608 CA PRO A 104 86.113 -10.996 -8.822 1.00 0.00 C ATOM 1609 C PRO A 104 87.185 -11.651 -9.697 1.00 0.00 C ATOM 1610 O PRO A 104 87.944 -12.485 -9.244 1.00 0.00 O ATOM 1611 CB PRO A 104 86.388 -11.254 -7.343 1.00 0.00 C ATOM 1612 CG PRO A 104 85.542 -12.435 -6.980 1.00 0.00 C ATOM 1613 CD PRO A 104 84.362 -12.452 -7.916 1.00 0.00 C ATOM 0 HA PRO A 104 86.121 -9.935 -9.071 1.00 0.00 H new ATOM 0 HB2 PRO A 104 87.444 -11.460 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 104 86.129 -10.385 -6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 104 86.115 -13.358 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 104 85.209 -12.364 -5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 104 84.113 -13.467 -8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 104 83.472 -12.036 -7.443 1.00 0.00 H new ATOM 1621 N GLU A 105 87.252 -11.283 -10.947 1.00 0.00 N ATOM 1622 CA GLU A 105 88.271 -11.886 -11.848 1.00 0.00 C ATOM 1623 C GLU A 105 89.466 -10.941 -12.005 1.00 0.00 C ATOM 1624 O GLU A 105 90.534 -11.182 -11.477 1.00 0.00 O ATOM 1625 CB GLU A 105 87.557 -12.075 -13.186 1.00 0.00 C ATOM 1626 CG GLU A 105 88.584 -12.409 -14.270 1.00 0.00 C ATOM 1627 CD GLU A 105 87.863 -12.662 -15.595 1.00 0.00 C ATOM 1628 OE1 GLU A 105 87.526 -11.693 -16.257 1.00 0.00 O ATOM 1629 OE2 GLU A 105 87.659 -13.818 -15.926 1.00 0.00 O ATOM 0 H GLU A 105 86.644 -10.590 -11.383 1.00 0.00 H new ATOM 0 HA GLU A 105 88.660 -12.827 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 105 86.822 -12.876 -13.108 1.00 0.00 H new ATOM 0 HB3 GLU A 105 87.014 -11.168 -13.452 1.00 0.00 H new ATOM 0 HG2 GLU A 105 89.292 -11.588 -14.380 1.00 0.00 H new ATOM 0 HG3 GLU A 105 89.159 -13.289 -13.983 1.00 0.00 H new ATOM 1636 N PHE A 106 89.296 -9.868 -12.727 1.00 0.00 N ATOM 1637 CA PHE A 106 90.423 -8.911 -12.918 1.00 0.00 C ATOM 1638 C PHE A 106 89.993 -7.753 -13.822 1.00 0.00 C ATOM 1639 O PHE A 106 90.307 -7.719 -14.995 1.00 0.00 O ATOM 1640 CB PHE A 106 91.528 -9.730 -13.585 1.00 0.00 C ATOM 1641 CG PHE A 106 92.847 -9.437 -12.912 1.00 0.00 C ATOM 1642 CD1 PHE A 106 92.955 -9.518 -11.518 1.00 0.00 C ATOM 1643 CD2 PHE A 106 93.962 -9.085 -13.682 1.00 0.00 C ATOM 1644 CE1 PHE A 106 94.178 -9.245 -10.894 1.00 0.00 C ATOM 1645 CE2 PHE A 106 95.186 -8.812 -13.057 1.00 0.00 C ATOM 1646 CZ PHE A 106 95.293 -8.892 -11.664 1.00 0.00 C ATOM 0 H PHE A 106 88.426 -9.612 -13.193 1.00 0.00 H new ATOM 0 HA PHE A 106 90.752 -8.470 -11.977 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.300 -10.794 -13.515 1.00 0.00 H new ATOM 0 HB3 PHE A 106 91.587 -9.486 -14.646 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.095 -9.791 -10.925 1.00 0.00 H new ATOM 0 HD2 PHE A 106 93.879 -9.024 -14.757 1.00 0.00 H new ATOM 0 HE1 PHE A 106 94.262 -9.307 -9.819 1.00 0.00 H new ATOM 0 HE2 PHE A 106 96.047 -8.540 -13.650 1.00 0.00 H new ATOM 0 HZ PHE A 106 96.236 -8.681 -11.182 1.00 0.00 H new ATOM 1656 N ILE A 107 89.275 -6.803 -13.287 1.00 0.00 N ATOM 1657 CA ILE A 107 88.826 -5.649 -14.118 1.00 0.00 C ATOM 1658 C ILE A 107 90.031 -4.822 -14.571 1.00 0.00 C ATOM 1659 O ILE A 107 90.001 -4.175 -15.600 1.00 0.00 O ATOM 1660 CB ILE A 107 87.926 -4.823 -13.198 1.00 0.00 C ATOM 1661 CG1 ILE A 107 86.592 -5.549 -13.004 1.00 0.00 C ATOM 1662 CG2 ILE A 107 87.672 -3.454 -13.828 1.00 0.00 C ATOM 1663 CD1 ILE A 107 85.800 -5.521 -14.313 1.00 0.00 C ATOM 0 H ILE A 107 88.980 -6.776 -12.311 1.00 0.00 H new ATOM 0 HA ILE A 107 88.304 -5.969 -15.019 1.00 0.00 H new ATOM 0 HB ILE A 107 88.415 -4.694 -12.232 1.00 0.00 H new ATOM 0 HG12 ILE A 107 86.768 -6.579 -12.695 1.00 0.00 H new ATOM 0 HG13 ILE A 107 86.018 -5.072 -12.209 1.00 0.00 H new ATOM 0 HG21 ILE A 107 87.031 -2.865 -13.172 1.00 0.00 H new ATOM 0 HG22 ILE A 107 88.621 -2.936 -13.968 1.00 0.00 H new ATOM 0 HG23 ILE A 107 87.183 -3.583 -14.794 1.00 0.00 H new ATOM 0 HD11 ILE A 107 84.850 -6.038 -14.175 1.00 0.00 H new ATOM 0 HD12 ILE A 107 85.612 -4.487 -14.602 1.00 0.00 H new ATOM 0 HD13 ILE A 107 86.373 -6.018 -15.096 1.00 0.00 H new ATOM 1675 N VAL A 108 91.093 -4.836 -13.812 1.00 0.00 N ATOM 1676 CA VAL A 108 92.298 -4.049 -14.202 1.00 0.00 C ATOM 1677 C VAL A 108 92.882 -4.588 -15.511 1.00 0.00 C ATOM 1678 O VAL A 108 92.881 -5.778 -15.759 1.00 0.00 O ATOM 1679 CB VAL A 108 93.287 -4.246 -13.051 1.00 0.00 C ATOM 1680 CG1 VAL A 108 93.517 -5.740 -12.825 1.00 0.00 C ATOM 1681 CG2 VAL A 108 94.615 -3.573 -13.403 1.00 0.00 C ATOM 0 H VAL A 108 91.178 -5.358 -12.940 1.00 0.00 H new ATOM 0 HA VAL A 108 92.069 -2.996 -14.368 1.00 0.00 H new ATOM 0 HB VAL A 108 92.882 -3.801 -12.142 1.00 0.00 H new ATOM 0 HG11 VAL A 108 94.222 -5.880 -12.005 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.571 -6.220 -12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.923 -6.187 -13.732 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.321 -3.712 -12.585 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.020 -4.019 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.451 -2.507 -13.564 1.00 0.00 H new ATOM 1691 N THR A 109 93.381 -3.722 -16.350 1.00 0.00 N ATOM 1692 CA THR A 109 93.964 -4.187 -17.642 1.00 0.00 C ATOM 1693 C THR A 109 95.170 -3.323 -18.022 1.00 0.00 C ATOM 1694 O THR A 109 95.665 -3.384 -19.129 1.00 0.00 O ATOM 1695 CB THR A 109 92.840 -4.018 -18.666 1.00 0.00 C ATOM 1696 OG1 THR A 109 93.372 -4.156 -19.976 1.00 0.00 O ATOM 1697 CG2 THR A 109 92.208 -2.635 -18.511 1.00 0.00 C ATOM 0 H THR A 109 93.411 -2.714 -16.198 1.00 0.00 H new ATOM 0 HA THR A 109 94.317 -5.217 -17.588 1.00 0.00 H new ATOM 0 HB THR A 109 92.079 -4.781 -18.500 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.339 -4.305 -19.922 1.00 0.00 H new ATOM 0 HG21 THR A 109 91.408 -2.517 -19.241 1.00 0.00 H new ATOM 0 HG22 THR A 109 91.800 -2.532 -17.506 1.00 0.00 H new ATOM 0 HG23 THR A 109 92.965 -1.868 -18.675 1.00 0.00 H new ATOM 1705 N ASP A 110 95.647 -2.520 -17.110 1.00 0.00 N ATOM 1706 CA ASP A 110 96.821 -1.654 -17.420 1.00 0.00 C ATOM 1707 C ASP A 110 96.633 -0.971 -18.777 1.00 0.00 C ATOM 1708 O ASP A 110 97.598 -0.419 -19.280 1.00 0.00 O ATOM 1709 CB ASP A 110 98.018 -2.605 -17.459 1.00 0.00 C ATOM 1710 CG ASP A 110 97.976 -3.529 -16.239 1.00 0.00 C ATOM 1711 OD1 ASP A 110 98.230 -3.046 -15.147 1.00 0.00 O ATOM 1712 OD2 ASP A 110 97.693 -4.701 -16.417 1.00 0.00 O ATOM 1713 OXT ASP A 110 95.527 -1.013 -19.291 1.00 0.00 O ATOM 0 H ASP A 110 95.275 -2.426 -16.165 1.00 0.00 H new ATOM 0 HA ASP A 110 96.954 -0.862 -16.683 1.00 0.00 H new ATOM 0 HB2 ASP A 110 97.998 -3.194 -18.376 1.00 0.00 H new ATOM 0 HB3 ASP A 110 98.948 -2.036 -17.466 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 74.640 0.747 8.759 1.00 0.00 CA