USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 ASN : amide:sc= -0.659 K(o=-1.9,f=-3.3) USER MOD Set 1.2: A 31 MET CE :methyl -163:sc= -1.25 (180deg=-1.57) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0751 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 1.27 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0973 K(o=-0.097,f=-2) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00656 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0605) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.195 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.411 X(o=-0.41,f=-0.41) USER MOD Single : A 45 LYS NZ :NH3+ 162:sc= -1.31 (180deg=-1.85!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 64 LYS NZ :NH3+ 166:sc=-0.00225 (180deg=-0.118) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.33! C(o=-3.3!,f=-5.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.702 K(o=-0.7,f=-0.0026) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 75 ASN : amide:sc= -2.08 K(o=-2.1,f=-3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.525 -2.970 -12.185 1.00 0.00 N ATOM 2 CA GLY A 1 -29.465 -2.225 -10.941 1.00 0.00 C ATOM 3 C GLY A 1 -28.282 -2.623 -10.082 1.00 0.00 C ATOM 4 O GLY A 1 -27.489 -3.483 -10.466 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.403 -2.318 -12.986 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.768 -3.683 -12.200 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.448 -3.444 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.407 -1.159 -11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.386 -2.385 -10.381 1.00 0.00 H new ATOM 8 N SER A 2 -28.160 -1.995 -8.917 1.00 0.00 N ATOM 9 CA SER A 2 -27.061 -2.285 -8.004 1.00 0.00 C ATOM 10 C SER A 2 -27.249 -1.553 -6.678 1.00 0.00 C ATOM 11 O SER A 2 -27.686 -0.403 -6.649 1.00 0.00 O ATOM 12 CB SER A 2 -25.726 -1.886 -8.635 1.00 0.00 C ATOM 13 OG SER A 2 -25.176 -2.956 -9.383 1.00 0.00 O ATOM 0 H SER A 2 -28.809 -1.282 -8.583 1.00 0.00 H new ATOM 0 HA SER A 2 -27.056 -3.358 -7.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.870 -1.022 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.026 -1.586 -7.855 1.00 0.00 H new ATOM 0 HG SER A 2 -25.872 -3.351 -9.949 1.00 0.00 H new ATOM 19 N SER A 3 -26.915 -2.229 -5.584 1.00 0.00 N ATOM 20 CA SER A 3 -27.050 -1.645 -4.254 1.00 0.00 C ATOM 21 C SER A 3 -25.940 -2.137 -3.330 1.00 0.00 C ATOM 22 O SER A 3 -25.194 -3.054 -3.670 1.00 0.00 O ATOM 23 CB SER A 3 -28.416 -1.991 -3.658 1.00 0.00 C ATOM 24 OG SER A 3 -29.466 -1.528 -4.488 1.00 0.00 O ATOM 0 H SER A 3 -26.549 -3.181 -5.592 1.00 0.00 H new ATOM 0 HA SER A 3 -26.967 -0.562 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.498 -3.070 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.508 -1.545 -2.668 1.00 0.00 H new ATOM 0 HG SER A 3 -30.328 -1.763 -4.086 1.00 0.00 H new ATOM 30 N GLY A 4 -25.838 -1.519 -2.157 1.00 0.00 N ATOM 31 CA GLY A 4 -24.817 -1.906 -1.201 1.00 0.00 C ATOM 32 C GLY A 4 -25.369 -2.074 0.201 1.00 0.00 C ATOM 33 O GLY A 4 -26.468 -1.609 0.502 1.00 0.00 O ATOM 0 H GLY A 4 -26.444 -0.757 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.359 -2.841 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.029 -1.152 -1.190 1.00 0.00 H new ATOM 37 N SER A 5 -24.606 -2.742 1.060 1.00 0.00 N ATOM 38 CA SER A 5 -25.028 -2.975 2.436 1.00 0.00 C ATOM 39 C SER A 5 -23.867 -3.495 3.279 1.00 0.00 C ATOM 40 O SER A 5 -22.825 -3.881 2.750 1.00 0.00 O ATOM 41 CB SER A 5 -26.187 -3.973 2.474 1.00 0.00 C ATOM 42 OG SER A 5 -25.722 -5.302 2.319 1.00 0.00 O ATOM 0 H SER A 5 -23.692 -3.131 0.827 1.00 0.00 H new ATOM 0 HA SER A 5 -25.362 -2.025 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.721 -3.879 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.898 -3.739 1.682 1.00 0.00 H new ATOM 0 HG SER A 5 -26.482 -5.920 2.349 1.00 0.00 H new ATOM 48 N SER A 6 -24.056 -3.502 4.595 1.00 0.00 N ATOM 49 CA SER A 6 -23.025 -3.970 5.513 1.00 0.00 C ATOM 50 C SER A 6 -22.405 -5.272 5.015 1.00 0.00 C ATOM 51 O SER A 6 -22.947 -5.933 4.130 1.00 0.00 O ATOM 52 CB SER A 6 -23.612 -4.174 6.911 1.00 0.00 C ATOM 53 OG SER A 6 -24.086 -2.952 7.448 1.00 0.00 O ATOM 0 H SER A 6 -24.914 -3.189 5.049 1.00 0.00 H new ATOM 0 HA SER A 6 -22.244 -3.211 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.428 -4.895 6.865 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.852 -4.594 7.570 1.00 0.00 H new ATOM 0 HG SER A 6 -24.458 -3.109 8.341 1.00 0.00 H new ATOM 59 N GLY A 7 -21.263 -5.635 5.591 1.00 0.00 N ATOM 60 CA GLY A 7 -20.586 -6.856 5.194 1.00 0.00 C ATOM 61 C GLY A 7 -19.764 -7.455 6.317 1.00 0.00 C ATOM 62 O GLY A 7 -20.312 -7.953 7.301 1.00 0.00 O ATOM 0 H GLY A 7 -20.794 -5.105 6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.324 -7.585 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.936 -6.648 4.344 1.00 0.00 H new ATOM 66 N VAL A 8 -18.443 -7.409 6.172 1.00 0.00 N ATOM 67 CA VAL A 8 -17.543 -7.953 7.182 1.00 0.00 C ATOM 68 C VAL A 8 -17.708 -9.463 7.310 1.00 0.00 C ATOM 69 O VAL A 8 -17.759 -10.000 8.416 1.00 0.00 O ATOM 70 CB VAL A 8 -17.786 -7.303 8.557 1.00 0.00 C ATOM 71 CG1 VAL A 8 -16.659 -7.650 9.518 1.00 0.00 C ATOM 72 CG2 VAL A 8 -17.931 -5.795 8.415 1.00 0.00 C ATOM 0 H VAL A 8 -17.973 -7.000 5.364 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.528 -7.728 6.855 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.716 -7.698 8.967 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.848 -7.182 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.607 -8.732 9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.713 -7.285 9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.102 -5.352 9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.020 -5.381 7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.775 -5.570 7.763 1.00 0.00 H new ATOM 82 N GLU A 9 -17.791 -10.142 6.170 1.00 0.00 N ATOM 83 CA GLU A 9 -17.950 -11.592 6.156 1.00 0.00 C ATOM 84 C GLU A 9 -16.668 -12.275 5.690 1.00 0.00 C ATOM 85 O GLU A 9 -15.967 -11.795 4.799 1.00 0.00 O ATOM 86 CB GLU A 9 -19.113 -11.990 5.244 1.00 0.00 C ATOM 87 CG GLU A 9 -20.477 -11.839 5.897 1.00 0.00 C ATOM 88 CD GLU A 9 -20.631 -12.705 7.133 1.00 0.00 C ATOM 89 OE1 GLU A 9 -21.064 -13.868 6.991 1.00 0.00 O ATOM 90 OE2 GLU A 9 -20.320 -12.219 8.240 1.00 0.00 O ATOM 0 H GLU A 9 -17.751 -9.712 5.246 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.166 -11.919 7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.082 -11.379 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.981 -13.026 4.932 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -20.632 -10.795 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -21.252 -12.100 5.176 1.00 0.00 H new ATOM 97 N PRO A 10 -16.353 -13.424 6.308 1.00 0.00 N ATOM 98 CA PRO A 10 -15.154 -14.198 5.974 1.00 0.00 C ATOM 99 C PRO A 10 -15.249 -14.850 4.599 1.00 0.00 C ATOM 100 O PRO A 10 -16.263 -14.728 3.911 1.00 0.00 O ATOM 101 CB PRO A 10 -15.106 -15.266 7.070 1.00 0.00 C ATOM 102 CG PRO A 10 -16.519 -15.416 7.516 1.00 0.00 C ATOM 103 CD PRO A 10 -17.143 -14.054 7.379 1.00 0.00 C ATOM 0 HA PRO A 10 -14.263 -13.571 5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.709 -16.207 6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.461 -14.959 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -17.045 -16.150 6.905 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.568 -15.766 8.547 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -18.198 -14.120 7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.082 -13.489 8.309 1.00 0.00 H new ATOM 111 N VAL A 11 -14.186 -15.543 4.203 1.00 0.00 N ATOM 112 CA VAL A 11 -14.150 -16.216 2.909 1.00 0.00 C ATOM 113 C VAL A 11 -13.996 -17.723 3.078 1.00 0.00 C ATOM 114 O VAL A 11 -13.157 -18.205 3.839 1.00 0.00 O ATOM 115 CB VAL A 11 -12.999 -15.688 2.034 1.00 0.00 C ATOM 116 CG1 VAL A 11 -12.947 -16.437 0.711 1.00 0.00 C ATOM 117 CG2 VAL A 11 -13.148 -14.191 1.803 1.00 0.00 C ATOM 0 H VAL A 11 -13.338 -15.653 4.759 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.098 -16.004 2.415 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.059 -15.860 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.127 -16.050 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.789 -17.499 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.888 -16.300 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.326 -13.835 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.094 -13.993 1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.131 -13.672 2.761 1.00 0.00 H new ATOM 127 N PRO A 12 -14.825 -18.488 2.351 1.00 0.00 N ATOM 128 CA PRO A 12 -14.799 -19.952 2.402 1.00 0.00 C ATOM 129 C PRO A 12 -13.543 -20.533 1.761 1.00 0.00 C ATOM 130 O PRO A 12 -12.831 -19.842 1.032 1.00 0.00 O ATOM 131 CB PRO A 12 -16.042 -20.357 1.605 1.00 0.00 C ATOM 132 CG PRO A 12 -16.289 -19.213 0.682 1.00 0.00 C ATOM 133 CD PRO A 12 -15.850 -17.981 1.423 1.00 0.00 C ATOM 0 HA PRO A 12 -14.793 -20.324 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.875 -21.282 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.895 -20.527 2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.728 -19.331 -0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.343 -19.151 0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -15.443 -17.229 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.679 -17.516 1.956 1.00 0.00 H new ATOM 141 N ASP A 13 -13.278 -21.805 2.037 1.00 0.00 N ATOM 142 CA ASP A 13 -12.108 -22.479 1.486 1.00 0.00 C ATOM 143 C ASP A 13 -12.266 -22.702 -0.015 1.00 0.00 C ATOM 144 O ASP A 13 -12.769 -23.739 -0.450 1.00 0.00 O ATOM 145 CB ASP A 13 -11.883 -23.817 2.192 1.00 0.00 C ATOM 146 CG ASP A 13 -13.130 -24.679 2.208 1.00 0.00 C ATOM 147 OD1 ASP A 13 -13.963 -24.501 3.121 1.00 0.00 O ATOM 148 OD2 ASP A 13 -13.272 -25.534 1.308 1.00 0.00 O ATOM 0 H ASP A 13 -13.857 -22.390 2.639 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.240 -21.840 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.078 -24.357 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.558 -23.634 3.216 1.00 0.00 H new ATOM 153 N THR A 14 -11.836 -21.722 -0.803 1.00 0.00 N ATOM 154 CA THR A 14 -11.931 -21.810 -2.255 1.00 0.00 C ATOM 155 C THR A 14 -10.593 -21.500 -2.914 1.00 0.00 C ATOM 156 O THR A 14 -9.769 -20.772 -2.358 1.00 0.00 O ATOM 157 CB THR A 14 -12.998 -20.846 -2.807 1.00 0.00 C ATOM 158 OG1 THR A 14 -12.678 -19.499 -2.439 1.00 0.00 O ATOM 159 CG2 THR A 14 -14.379 -21.206 -2.280 1.00 0.00 C ATOM 0 H THR A 14 -11.418 -20.857 -0.460 1.00 0.00 H new ATOM 0 HA THR A 14 -12.220 -22.834 -2.491 1.00 0.00 H new ATOM 0 HB THR A 14 -13.007 -20.934 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.360 -18.892 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 14 -15.115 -20.511 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.632 -22.221 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 14 -14.381 -21.144 -1.192 1.00 0.00 H new ATOM 167 N HIS A 15 -10.381 -22.057 -4.102 1.00 0.00 N ATOM 168 CA HIS A 15 -9.140 -21.838 -4.839 1.00 0.00 C ATOM 169 C HIS A 15 -8.668 -20.395 -4.691 1.00 0.00 C ATOM 170 O HIS A 15 -9.424 -19.455 -4.939 1.00 0.00 O ATOM 171 CB HIS A 15 -9.334 -22.175 -6.317 1.00 0.00 C ATOM 172 CG HIS A 15 -8.049 -22.331 -7.070 1.00 0.00 C ATOM 173 ND1 HIS A 15 -7.846 -21.808 -8.330 1.00 0.00 N ATOM 174 CD2 HIS A 15 -6.896 -22.954 -6.732 1.00 0.00 C ATOM 175 CE1 HIS A 15 -6.624 -22.105 -8.735 1.00 0.00 C ATOM 176 NE2 HIS A 15 -6.026 -22.800 -7.784 1.00 0.00 N ATOM 0 H HIS A 15 -11.051 -22.663 -4.575 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.377 -22.495 -4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -9.907 -23.098 -6.398 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -9.927 -21.389 -6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.697 -23.475 -5.807 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.188 -21.827 -9.683 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.074 -23.163 -7.824 1.00 0.00 H new ATOM 184 N LEU A 16 -7.414 -20.227 -4.284 1.00 0.00 N ATOM 185 CA LEU A 16 -6.841 -18.898 -4.103 1.00 0.00 C ATOM 186 C LEU A 16 -6.599 -18.220 -5.448 1.00 0.00 C ATOM 187 O LEU A 16 -5.557 -18.415 -6.073 1.00 0.00 O ATOM 188 CB LEU A 16 -5.529 -18.990 -3.322 1.00 0.00 C ATOM 189 CG LEU A 16 -5.647 -18.914 -1.799 1.00 0.00 C ATOM 190 CD1 LEU A 16 -6.268 -17.592 -1.377 1.00 0.00 C ATOM 191 CD2 LEU A 16 -6.465 -20.083 -1.269 1.00 0.00 C ATOM 0 H LEU A 16 -6.775 -20.994 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.553 -18.296 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.040 -19.929 -3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.873 -18.186 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.646 -18.974 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.344 -17.556 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.643 -16.769 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.263 -17.502 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.539 -20.013 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.464 -20.054 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.978 -21.020 -1.540 1.00 0.00 H new ATOM 203 N ARG A 17 -7.568 -17.423 -5.886 1.00 0.00 N ATOM 204 CA ARG A 17 -7.460 -16.716 -7.156 1.00 0.00 C ATOM 205 C ARG A 17 -7.606 -15.211 -6.954 1.00 0.00 C ATOM 206 O ARG A 17 -7.830 -14.742 -5.839 1.00 0.00 O ATOM 207 CB ARG A 17 -8.525 -17.216 -8.134 1.00 0.00 C ATOM 208 CG ARG A 17 -8.364 -18.678 -8.515 1.00 0.00 C ATOM 209 CD ARG A 17 -9.339 -19.079 -9.611 1.00 0.00 C ATOM 210 NE ARG A 17 -10.643 -19.456 -9.074 1.00 0.00 N ATOM 211 CZ ARG A 17 -11.634 -19.934 -9.818 1.00 0.00 C ATOM 212 NH1 ARG A 17 -11.471 -20.091 -11.124 1.00 0.00 N ATOM 213 NH2 ARG A 17 -12.792 -20.255 -9.255 1.00 0.00 N ATOM 0 H ARG A 17 -8.437 -17.251 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.472 -16.915 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.510 -17.071 -7.690 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.490 -16.608 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.343 -18.857 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.524 -19.304 -7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.460 -18.250 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.925 -19.914 -10.176 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.802 -19.346 -8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.583 -19.845 -11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.234 -20.458 -11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.921 -20.135 -8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.553 -20.622 -9.827 1.00 0.00 H new ATOM 227 N GLY A 18 -7.476 -14.457 -8.042 1.00 0.00 N ATOM 228 CA GLY A 18 -7.595 -13.013 -7.963 1.00 0.00 C ATOM 229 C GLY A 18 -6.955 -12.313 -9.145 1.00 0.00 C ATOM 230 O GLY A 18 -5.762 -12.007 -9.122 1.00 0.00 O ATOM 0 H GLY A 18 -7.290 -14.821 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.649 -12.741 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.129 -12.663 -7.042 1.00 0.00 H new ATOM 234 N ILE A 19 -7.748 -12.059 -10.181 1.00 0.00 N ATOM 235 CA ILE A 19 -7.250 -11.391 -11.377 1.00 0.00 C ATOM 236 C ILE A 19 -7.392 -9.878 -11.261 1.00 0.00 C ATOM 237 O ILE A 19 -6.426 -9.136 -11.442 1.00 0.00 O ATOM 238 CB ILE A 19 -7.992 -11.870 -12.639 1.00 0.00 C ATOM 239 CG1 ILE A 19 -7.961 -13.397 -12.727 1.00 0.00 C ATOM 240 CG2 ILE A 19 -7.376 -11.249 -13.883 1.00 0.00 C ATOM 241 CD1 ILE A 19 -6.644 -13.946 -13.229 1.00 0.00 C ATOM 0 H ILE A 19 -8.737 -12.306 -10.216 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.195 -11.648 -11.466 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.032 -11.550 -12.575 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.167 -13.814 -11.741 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.761 -13.731 -13.388 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.911 -11.597 -14.767 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.446 -10.163 -13.821 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.328 -11.541 -13.955 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.694 -15.034 -13.266 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.445 -13.558 -14.228 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.843 -13.642 -12.555 1.00 0.00 H new ATOM 253 N THR A 20 -8.604 -9.424 -10.955 1.00 0.00 N ATOM 254 CA THR A 20 -8.874 -7.999 -10.814 1.00 0.00 C ATOM 255 C THR A 20 -7.894 -7.348 -9.844 1.00 0.00 C ATOM 256 O THR A 20 -6.977 -7.998 -9.343 1.00 0.00 O ATOM 257 CB THR A 20 -10.311 -7.745 -10.321 1.00 0.00 C ATOM 258 OG1 THR A 20 -10.665 -8.710 -9.324 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.299 -7.816 -11.476 1.00 0.00 C ATOM 0 H THR A 20 -9.414 -10.024 -10.800 1.00 0.00 H new ATOM 0 HA THR A 20 -8.753 -7.555 -11.802 1.00 0.00 H new ATOM 0 HB THR A 20 -10.352 -6.745 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.579 -8.540 -9.015 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.307 -7.634 -11.104 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.044 -7.061 -12.220 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.254 -8.805 -11.933 1.00 0.00 H new ATOM 267 N CYS A 21 -8.095 -6.060 -9.584 1.00 0.00 N ATOM 268 CA CYS A 21 -7.229 -5.320 -8.673 1.00 0.00 C ATOM 269 C CYS A 21 -7.695 -5.481 -7.229 1.00 0.00 C ATOM 270 O CYS A 21 -8.890 -5.416 -6.939 1.00 0.00 O ATOM 271 CB CYS A 21 -7.206 -3.838 -9.051 1.00 0.00 C ATOM 272 SG CYS A 21 -6.437 -2.763 -7.797 1.00 0.00 S ATOM 0 H CYS A 21 -8.850 -5.507 -9.991 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.221 -5.726 -8.758 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.669 -3.722 -9.992 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.228 -3.502 -9.224 1.00 0.00 H new ATOM 277 N LEU A 22 -6.743 -5.691 -6.327 1.00 0.00 N ATOM 278 CA LEU A 22 -7.054 -5.860 -4.912 1.00 0.00 C ATOM 279 C LEU A 22 -8.043 -4.799 -4.440 1.00 0.00 C ATOM 280 O LEU A 22 -9.180 -5.110 -4.085 1.00 0.00 O ATOM 281 CB LEU A 22 -5.775 -5.788 -4.076 1.00 0.00 C ATOM 282 CG LEU A 22 -4.658 -6.755 -4.473 1.00 0.00 C ATOM 283 CD1 LEU A 22 -3.377 -6.428 -3.721 1.00 0.00 C ATOM 284 CD2 LEU A 22 -5.080 -8.193 -4.211 1.00 0.00 C ATOM 0 H LEU A 22 -5.749 -5.748 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.512 -6.841 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.385 -4.772 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.035 -5.973 -3.034 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.468 -6.642 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.594 -7.126 -4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.065 -5.411 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.553 -6.512 -2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.273 -8.867 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.298 -8.321 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.971 -8.423 -4.795 1.00 0.00 H new ATOM 296 N ASP A 23 -7.603 -3.546 -4.442 1.00 0.00 N ATOM 297 CA ASP A 23 -8.451 -2.437 -4.018 1.00 0.00 C ATOM 298 C ASP A 23 -9.730 -2.384 -4.847 1.00 0.00 C ATOM 299 O ASP A 23 -10.817 -2.151 -4.317 1.00 0.00 O ATOM 300 CB ASP A 23 -7.694 -1.114 -4.138 1.00 0.00 C ATOM 301 CG ASP A 23 -8.374 0.012 -3.384 1.00 0.00 C ATOM 302 OD1 ASP A 23 -9.302 0.629 -3.948 1.00 0.00 O ATOM 303 OD2 ASP A 23 -7.979 0.276 -2.230 1.00 0.00 O ATOM 0 H ASP A 23 -6.664 -3.272 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.723 -2.597 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.681 -1.243 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.607 -0.842 -5.190 1.00 0.00 H new ATOM 308 N HIS A 24 -9.593 -2.599 -6.152 1.00 0.00 N ATOM 309 CA HIS A 24 -10.738 -2.574 -7.055 1.00 0.00 C ATOM 310 C HIS A 24 -10.933 -3.932 -7.723 1.00 0.00 C ATOM 311 O HIS A 24 -10.182 -4.304 -8.624 1.00 0.00 O ATOM 312 CB HIS A 24 -10.553 -1.492 -8.119 1.00 0.00 C ATOM 313 CG HIS A 24 -9.961 -0.224 -7.586 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.602 -0.010 -7.489 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.551 0.902 -7.122 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.382 1.192 -6.986 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.549 1.766 -6.755 1.00 0.00 N ATOM 0 H HIS A 24 -8.701 -2.792 -6.607 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.627 -2.346 -6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.911 -1.878 -8.911 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.519 -1.270 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.613 1.087 -7.053 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.413 1.630 -6.796 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.684 2.700 -6.367 1.00 0.00 H new ATOM 325 N GLU A 25 -11.945 -4.668 -7.273 1.00 0.00 N ATOM 326 CA GLU A 25 -12.236 -5.985 -7.827 1.00 0.00 C ATOM 327 C GLU A 25 -13.087 -5.869 -9.088 1.00 0.00 C ATOM 328 O GLU A 25 -13.884 -6.754 -9.395 1.00 0.00 O ATOM 329 CB GLU A 25 -12.957 -6.850 -6.790 1.00 0.00 C ATOM 330 CG GLU A 25 -14.299 -6.287 -6.354 1.00 0.00 C ATOM 331 CD GLU A 25 -14.182 -5.361 -5.159 1.00 0.00 C ATOM 332 OE1 GLU A 25 -13.337 -5.630 -4.280 1.00 0.00 O ATOM 333 OE2 GLU A 25 -14.936 -4.367 -5.104 1.00 0.00 O ATOM 0 H GLU A 25 -12.576 -4.375 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.290 -6.458 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.108 -7.847 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.317 -6.961 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.749 -5.746 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.971 -7.109 -6.108 1.00 0.00 H new ATOM 340 N ASN A 26 -12.910 -4.771 -9.815 1.00 0.00 N ATOM 341 CA ASN A 26 -13.662 -4.537 -11.043 1.00 0.00 C ATOM 342 C ASN A 26 -12.725 -4.190 -12.196 1.00 0.00 C ATOM 343 O ASN A 26 -12.935 -4.622 -13.330 1.00 0.00 O ATOM 344 CB ASN A 26 -14.676 -3.411 -10.838 1.00 0.00 C ATOM 345 CG ASN A 26 -15.769 -3.788 -9.857 1.00 0.00 C ATOM 346 OD1 ASN A 26 -15.785 -3.320 -8.718 1.00 0.00 O ATOM 347 ND2 ASN A 26 -16.690 -4.638 -10.296 1.00 0.00 N ATOM 0 H ASN A 26 -12.252 -4.029 -9.575 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.195 -5.454 -11.294 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.159 -2.522 -10.477 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.126 -3.152 -11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.450 -4.928 -9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.637 -5.001 -11.248 1.00 0.00 H new ATOM 354 N GLU A 27 -11.692 -3.409 -11.898 1.00 0.00 N ATOM 355 CA GLU A 27 -10.724 -3.004 -12.911 1.00 0.00 C ATOM 356 C GLU A 27 -9.560 -3.988 -12.974 1.00 0.00 C ATOM 357 O GLU A 27 -8.900 -4.254 -11.969 1.00 0.00 O ATOM 358 CB GLU A 27 -10.201 -1.597 -12.614 1.00 0.00 C ATOM 359 CG GLU A 27 -11.235 -0.505 -12.830 1.00 0.00 C ATOM 360 CD GLU A 27 -11.612 -0.339 -14.290 1.00 0.00 C ATOM 361 OE1 GLU A 27 -10.704 -0.105 -15.115 1.00 0.00 O ATOM 362 OE2 GLU A 27 -12.816 -0.443 -14.607 1.00 0.00 O ATOM 0 H GLU A 27 -11.504 -3.044 -10.964 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.227 -3.000 -13.878 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.854 -1.558 -11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.337 -1.398 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.129 -0.737 -12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.846 0.439 -12.449 1.00 0.00 H new ATOM 369 N LYS A 28 -9.313 -4.528 -14.163 1.00 0.00 N ATOM 370 CA LYS A 28 -8.229 -5.482 -14.361 1.00 0.00 C ATOM 371 C LYS A 28 -6.874 -4.785 -14.308 1.00 0.00 C ATOM 372 O LYS A 28 -6.492 -4.076 -15.239 1.00 0.00 O ATOM 373 CB LYS A 28 -8.393 -6.201 -15.703 1.00 0.00 C ATOM 374 CG LYS A 28 -9.723 -6.918 -15.850 1.00 0.00 C ATOM 375 CD LYS A 28 -9.752 -8.210 -15.052 1.00 0.00 C ATOM 376 CE LYS A 28 -11.123 -8.868 -15.105 1.00 0.00 C ATOM 377 NZ LYS A 28 -11.444 -9.370 -16.469 1.00 0.00 N ATOM 0 H LYS A 28 -9.850 -4.320 -15.005 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.272 -6.215 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.290 -5.475 -16.510 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.585 -6.924 -15.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.528 -6.264 -15.515 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.906 -7.135 -16.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.002 -8.897 -15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.486 -8.004 -14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.156 -9.695 -14.396 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.882 -8.151 -14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.304 -8.901 -16.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.652 -9.163 -17.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.601 -10.397 -16.433 1.00 0.00 H new ATOM 391 N VAL A 29 -6.149 -4.992 -13.212 1.00 0.00 N ATOM 392 CA VAL A 29 -4.835 -4.385 -13.039 1.00 0.00 C ATOM 393 C VAL A 29 -4.097 -4.282 -14.369 1.00 0.00 C ATOM 394 O VAL A 29 -3.683 -5.290 -14.940 1.00 0.00 O ATOM 395 CB VAL A 29 -3.973 -5.188 -12.047 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.561 -5.113 -10.646 1.00 0.00 C ATOM 397 CG2 VAL A 29 -3.842 -6.633 -12.503 1.00 0.00 C ATOM 0 H VAL A 29 -6.450 -5.575 -12.431 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.999 -3.384 -12.640 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.976 -4.748 -12.020 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.939 -5.686 -9.959 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.597 -4.073 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.570 -5.526 -10.652 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.230 -7.185 -11.790 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.831 -7.087 -12.561 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.371 -6.663 -13.486 1.00 0.00 H new ATOM 407 N ASN A 30 -3.936 -3.057 -14.857 1.00 0.00 N ATOM 408 CA ASN A 30 -3.248 -2.822 -16.122 1.00 0.00 C ATOM 409 C ASN A 30 -1.844 -2.274 -15.883 1.00 0.00 C ATOM 410 O ASN A 30 -1.030 -2.203 -16.803 1.00 0.00 O ATOM 411 CB ASN A 30 -4.048 -1.846 -16.988 1.00 0.00 C ATOM 412 CG ASN A 30 -3.936 -0.415 -16.500 1.00 0.00 C ATOM 413 OD1 ASN A 30 -3.117 0.360 -16.996 1.00 0.00 O ATOM 414 ND2 ASN A 30 -4.761 -0.057 -15.523 1.00 0.00 N ATOM 0 H ASN A 30 -4.272 -2.211 -14.396 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.163 -3.775 -16.644 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.695 -1.905 -18.018 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.096 -2.144 -16.993 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.732 0.893 -15.154 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.424 -0.732 -15.142 1.00 0.00 H new ATOM 421 N MET A 31 -1.568 -1.890 -14.641 1.00 0.00 N ATOM 422 CA MET A 31 -0.262 -1.351 -14.281 1.00 0.00 C ATOM 423 C MET A 31 0.345 -2.128 -13.117 1.00 0.00 C ATOM 424 O MET A 31 -0.319 -2.962 -12.502 1.00 0.00 O ATOM 425 CB MET A 31 -0.381 0.130 -13.914 1.00 0.00 C ATOM 426 CG MET A 31 -0.272 1.063 -15.109 1.00 0.00 C ATOM 427 SD MET A 31 -0.548 2.789 -14.669 1.00 0.00 S ATOM 428 CE MET A 31 -2.321 2.796 -14.417 1.00 0.00 C ATOM 0 H MET A 31 -2.231 -1.942 -13.868 1.00 0.00 H new ATOM 0 HA MET A 31 0.395 -1.452 -15.144 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.337 0.297 -13.419 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.399 0.381 -13.195 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.716 0.960 -15.557 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.998 0.764 -15.866 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.687 3.822 -14.438 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.803 2.222 -15.208 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.553 2.348 -13.451 1.00 0.00 H new ATOM 438 N TYR A 32 1.610 -1.849 -12.821 1.00 0.00 N ATOM 439 CA TYR A 32 2.307 -2.525 -11.733 1.00 0.00 C ATOM 440 C TYR A 32 3.133 -1.535 -10.918 1.00 0.00 C ATOM 441 O TYR A 32 3.835 -0.688 -11.473 1.00 0.00 O ATOM 442 CB TYR A 32 3.211 -3.628 -12.285 1.00 0.00 C ATOM 443 CG TYR A 32 4.369 -3.973 -11.377 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.237 -4.938 -10.386 1.00 0.00 C ATOM 445 CD2 TYR A 32 5.596 -3.333 -11.509 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.293 -5.256 -9.553 1.00 0.00 C ATOM 447 CE2 TYR A 32 6.657 -3.646 -10.682 1.00 0.00 C ATOM 448 CZ TYR A 32 6.500 -4.607 -9.706 1.00 0.00 C ATOM 449 OH TYR A 32 7.555 -4.921 -8.879 1.00 0.00 O ATOM 0 H TYR A 32 2.173 -1.160 -13.319 1.00 0.00 H new ATOM 0 HA TYR A 32 1.559 -2.972 -11.078 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.614 -4.524 -12.455 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.601 -3.316 -13.254 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.293 -5.448 -10.265 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.722 -2.578 -12.271 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.174 -6.008 -8.787 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.604 -3.141 -10.799 1.00 0.00 H new ATOM 0 HH TYR A 32 8.333 -4.375 -9.119 1.00 0.00 H new ATOM 459 N CYS A 33 3.046 -1.647 -9.597 1.00 0.00 N ATOM 460 CA CYS A 33 3.785 -0.764 -8.703 1.00 0.00 C ATOM 461 C CYS A 33 5.162 -1.339 -8.386 1.00 0.00 C ATOM 462 O CYS A 33 5.288 -2.500 -7.998 1.00 0.00 O ATOM 463 CB CYS A 33 3.001 -0.544 -7.408 1.00 0.00 C ATOM 464 SG CYS A 33 3.351 1.045 -6.588 1.00 0.00 S ATOM 0 H CYS A 33 2.470 -2.342 -9.121 1.00 0.00 H new ATOM 0 HA CYS A 33 3.918 0.194 -9.206 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.935 -0.600 -7.627 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.228 -1.355 -6.716 1.00 0.00 H new ATOM 469 N VAL A 34 6.193 -0.517 -8.554 1.00 0.00 N ATOM 470 CA VAL A 34 7.562 -0.943 -8.285 1.00 0.00 C ATOM 471 C VAL A 34 7.854 -0.939 -6.789 1.00 0.00 C ATOM 472 O VAL A 34 8.247 -1.957 -6.220 1.00 0.00 O ATOM 473 CB VAL A 34 8.582 -0.037 -8.999 1.00 0.00 C ATOM 474 CG1 VAL A 34 9.999 -0.538 -8.763 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.276 0.041 -10.487 1.00 0.00 C ATOM 0 H VAL A 34 6.107 0.447 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 34 7.659 -1.959 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 34 8.503 0.967 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.706 0.115 -9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.212 -0.536 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.096 -1.552 -9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.007 0.685 -10.975 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.325 -0.958 -10.921 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.277 0.451 -10.632 1.00 0.00 H new ATOM 485 N SER A 35 7.659 0.214 -6.157 1.00 0.00 N ATOM 486 CA SER A 35 7.905 0.353 -4.726 1.00 0.00 C ATOM 487 C SER A 35 7.200 -0.752 -3.944 1.00 0.00 C ATOM 488 O SER A 35 7.831 -1.496 -3.193 1.00 0.00 O ATOM 489 CB SER A 35 7.432 1.722 -4.236 1.00 0.00 C ATOM 490 OG SER A 35 8.228 2.761 -4.778 1.00 0.00 O ATOM 0 H SER A 35 7.331 1.065 -6.613 1.00 0.00 H new ATOM 0 HA SER A 35 8.978 0.266 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.390 1.873 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.475 1.757 -3.147 1.00 0.00 H new ATOM 0 HG SER A 35 7.904 3.626 -4.451 1.00 0.00 H new ATOM 496 N ASP A 36 5.888 -0.852 -4.127 1.00 0.00 N ATOM 497 CA ASP A 36 5.096 -1.865 -3.440 1.00 0.00 C ATOM 498 C ASP A 36 5.349 -3.247 -4.034 1.00 0.00 C ATOM 499 O ASP A 36 5.371 -4.247 -3.316 1.00 0.00 O ATOM 500 CB ASP A 36 3.607 -1.524 -3.527 1.00 0.00 C ATOM 501 CG ASP A 36 3.228 -0.354 -2.641 1.00 0.00 C ATOM 502 OD1 ASP A 36 3.864 -0.185 -1.579 1.00 0.00 O ATOM 503 OD2 ASP A 36 2.296 0.391 -3.008 1.00 0.00 O ATOM 0 H ASP A 36 5.351 -0.244 -4.745 1.00 0.00 H new ATOM 0 HA ASP A 36 5.397 -1.878 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.350 -1.291 -4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.020 -2.397 -3.242 1.00 0.00 H new ATOM 508 N ASP A 37 5.539 -3.296 -5.348 1.00 0.00 N ATOM 509 CA ASP A 37 5.791 -4.555 -6.038 1.00 0.00 C ATOM 510 C ASP A 37 4.521 -5.396 -6.115 1.00 0.00 C ATOM 511 O ASP A 37 4.550 -6.604 -5.879 1.00 0.00 O ATOM 512 CB ASP A 37 6.895 -5.339 -5.327 1.00 0.00 C ATOM 513 CG ASP A 37 8.043 -4.453 -4.887 1.00 0.00 C ATOM 514 OD1 ASP A 37 7.938 -3.838 -3.805 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.048 -4.374 -5.625 1.00 0.00 O ATOM 0 H ASP A 37 5.523 -2.478 -5.957 1.00 0.00 H new ATOM 0 HA ASP A 37 6.115 -4.326 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.475 -5.844 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.273 -6.114 -5.994 1.00 0.00 H new ATOM 520 N GLN A 38 3.407 -4.749 -6.445 1.00 0.00 N ATOM 521 CA GLN A 38 2.127 -5.438 -6.551 1.00 0.00 C ATOM 522 C GLN A 38 1.315 -4.901 -7.724 1.00 0.00 C ATOM 523 O GLN A 38 1.270 -3.693 -7.961 1.00 0.00 O ATOM 524 CB GLN A 38 1.332 -5.285 -5.253 1.00 0.00 C ATOM 525 CG GLN A 38 0.353 -6.419 -5.001 1.00 0.00 C ATOM 526 CD GLN A 38 0.998 -7.786 -5.126 1.00 0.00 C ATOM 527 OE1 GLN A 38 2.070 -8.032 -4.573 1.00 0.00 O ATOM 528 NE2 GLN A 38 0.346 -8.684 -5.855 1.00 0.00 N ATOM 0 H GLN A 38 3.366 -3.749 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 38 2.326 -6.496 -6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.028 -5.224 -4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.784 -4.343 -5.281 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.072 -6.312 -4.003 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.473 -6.345 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.540 -8.437 -6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.731 -9.621 -5.974 1.00 0.00 H new ATOM 537 N LEU A 39 0.674 -5.805 -8.457 1.00 0.00 N ATOM 538 CA LEU A 39 -0.137 -5.422 -9.608 1.00 0.00 C ATOM 539 C LEU A 39 -1.228 -4.437 -9.201 1.00 0.00 C ATOM 540 O LEU A 39 -1.925 -4.643 -8.207 1.00 0.00 O ATOM 541 CB LEU A 39 -0.766 -6.661 -10.248 1.00 0.00 C ATOM 542 CG LEU A 39 0.194 -7.597 -10.983 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.409 -8.987 -11.111 1.00 0.00 C ATOM 544 CD2 LEU A 39 0.540 -7.035 -12.355 1.00 0.00 C ATOM 0 H LEU A 39 0.700 -6.808 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 39 0.514 -4.936 -10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.272 -7.231 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.532 -6.333 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 39 1.113 -7.674 -10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.288 -9.639 -11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.606 -9.391 -10.118 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.343 -8.928 -11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.224 -7.714 -12.864 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.371 -6.928 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.015 -6.060 -12.240 1.00 0.00 H new ATOM 556 N ILE A 40 -1.371 -3.367 -9.977 1.00 0.00 N ATOM 557 CA ILE A 40 -2.380 -2.352 -9.699 1.00 0.00 C ATOM 558 C ILE A 40 -3.158 -1.991 -10.959 1.00 0.00 C ATOM 559 O ILE A 40 -2.894 -2.522 -12.039 1.00 0.00 O ATOM 560 CB ILE A 40 -1.747 -1.075 -9.116 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.773 -0.457 -10.122 1.00 0.00 C ATOM 562 CG2 ILE A 40 -1.038 -1.385 -7.807 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.604 1.037 -9.960 1.00 0.00 C ATOM 0 H ILE A 40 -0.801 -3.181 -10.802 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.062 -2.778 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.539 -0.354 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.199 -0.938 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.125 -0.667 -11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.596 -0.472 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.756 -1.784 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.254 -2.121 -7.983 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.100 1.407 -10.706 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.567 1.529 -10.095 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.223 1.254 -8.962 1.00 0.00 H new ATOM 575 N CYS A 41 -4.118 -1.083 -10.816 1.00 0.00 N ATOM 576 CA CYS A 41 -4.935 -0.649 -11.942 1.00 0.00 C ATOM 577 C CYS A 41 -4.856 0.865 -12.119 1.00 0.00 C ATOM 578 O CYS A 41 -4.098 1.542 -11.426 1.00 0.00 O ATOM 579 CB CYS A 41 -6.390 -1.074 -11.738 1.00 0.00 C ATOM 580 SG CYS A 41 -7.305 -0.046 -10.544 1.00 0.00 S ATOM 0 H CYS A 41 -4.349 -0.633 -9.930 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.548 -1.124 -12.844 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.905 -1.042 -12.698 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.411 -2.110 -11.400 1.00 0.00 H new ATOM 585 N ALA A 42 -5.645 1.387 -13.052 1.00 0.00 N ATOM 586 CA ALA A 42 -5.667 2.820 -13.319 1.00 0.00 C ATOM 587 C ALA A 42 -6.119 3.601 -12.090 1.00 0.00 C ATOM 588 O ALA A 42 -5.434 4.520 -11.639 1.00 0.00 O ATOM 589 CB ALA A 42 -6.575 3.123 -14.502 1.00 0.00 C ATOM 0 H ALA A 42 -6.277 0.839 -13.636 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.652 3.134 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.582 4.197 -14.690 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.207 2.602 -15.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.588 2.787 -14.279 1.00 0.00 H new ATOM 595 N LEU A 43 -7.276 3.231 -11.552 1.00 0.00 N ATOM 596 CA LEU A 43 -7.820 3.898 -10.374 1.00 0.00 C ATOM 597 C LEU A 43 -6.752 4.059 -9.298 1.00 0.00 C ATOM 598 O LEU A 43 -6.750 5.039 -8.552 1.00 0.00 O ATOM 599 CB LEU A 43 -9.006 3.106 -9.818 1.00 0.00 C ATOM 600 CG LEU A 43 -10.362 3.383 -10.469 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.369 2.313 -10.078 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.868 4.764 -10.080 1.00 0.00 C ATOM 0 H LEU A 43 -7.855 2.473 -11.913 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.161 4.889 -10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.787 2.043 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.088 3.314 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.237 3.357 -11.551 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.328 2.526 -10.550 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.011 1.338 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.491 2.307 -8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.834 4.944 -10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.978 4.820 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.156 5.519 -10.412 1.00 0.00 H new ATOM 614 N CYS A 44 -5.844 3.092 -9.223 1.00 0.00 N ATOM 615 CA CYS A 44 -4.769 3.127 -8.239 1.00 0.00 C ATOM 616 C CYS A 44 -3.802 4.271 -8.530 1.00 0.00 C ATOM 617 O CYS A 44 -3.225 4.859 -7.615 1.00 0.00 O ATOM 618 CB CYS A 44 -4.013 1.796 -8.232 1.00 0.00 C ATOM 619 SG CYS A 44 -4.913 0.434 -7.423 1.00 0.00 S ATOM 0 H CYS A 44 -5.831 2.274 -9.832 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.214 3.291 -7.257 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.792 1.511 -9.260 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.057 1.936 -7.727 1.00 0.00 H new ATOM 624 N LYS A 45 -3.631 4.583 -9.810 1.00 0.00 N ATOM 625 CA LYS A 45 -2.737 5.658 -10.223 1.00 0.00 C ATOM 626 C LYS A 45 -3.516 6.942 -10.490 1.00 0.00 C ATOM 627 O LYS A 45 -2.976 7.906 -11.035 1.00 0.00 O ATOM 628 CB LYS A 45 -1.961 5.249 -11.478 1.00 0.00 C ATOM 629 CG LYS A 45 -0.605 4.633 -11.180 1.00 0.00 C ATOM 630 CD LYS A 45 0.349 5.649 -10.574 1.00 0.00 C ATOM 631 CE LYS A 45 0.654 6.777 -11.548 1.00 0.00 C ATOM 632 NZ LYS A 45 1.313 6.277 -12.787 1.00 0.00 N ATOM 0 H LYS A 45 -4.100 4.106 -10.580 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.033 5.844 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.557 4.536 -12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.822 6.126 -12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.728 3.794 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.176 4.233 -12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.086 6.061 -9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.277 5.153 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.271 7.290 -11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.299 7.510 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.231 6.993 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.318 6.090 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.851 5.398 -13.096 1.00 0.00 H new ATOM 646 N LEU A 46 -4.786 6.949 -10.102 1.00 0.00 N ATOM 647 CA LEU A 46 -5.640 8.115 -10.298 1.00 0.00 C ATOM 648 C LEU A 46 -5.988 8.766 -8.963 1.00 0.00 C ATOM 649 O LEU A 46 -5.712 9.945 -8.744 1.00 0.00 O ATOM 650 CB LEU A 46 -6.920 7.718 -11.034 1.00 0.00 C ATOM 651 CG LEU A 46 -6.872 7.806 -12.560 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.627 7.117 -13.096 1.00 0.00 C ATOM 653 CD2 LEU A 46 -8.126 7.195 -13.169 1.00 0.00 C ATOM 0 H LEU A 46 -5.248 6.160 -9.650 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.091 8.838 -10.902 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.172 6.694 -10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.731 8.353 -10.679 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.830 8.858 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.610 7.190 -14.183 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.739 7.599 -12.686 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.637 6.067 -12.803 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.075 7.266 -14.255 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.199 6.147 -12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.004 7.733 -12.811 1.00 0.00 H new ATOM 665 N VAL A 47 -6.595 7.988 -8.072 1.00 0.00 N ATOM 666 CA VAL A 47 -6.978 8.486 -6.757 1.00 0.00 C ATOM 667 C VAL A 47 -6.571 7.510 -5.659 1.00 0.00 C ATOM 668 O VAL A 47 -6.784 7.767 -4.475 1.00 0.00 O ATOM 669 CB VAL A 47 -8.495 8.735 -6.671 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.905 9.867 -7.601 1.00 0.00 C ATOM 671 CG2 VAL A 47 -9.263 7.462 -6.997 1.00 0.00 C ATOM 0 H VAL A 47 -6.832 7.010 -8.238 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.454 9.430 -6.612 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.740 9.029 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.980 10.028 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.381 10.779 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.648 9.606 -8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.334 7.656 -6.931 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.015 7.136 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.992 6.681 -6.286 1.00 0.00 H new ATOM 681 N GLY A 48 -5.983 6.387 -6.061 1.00 0.00 N ATOM 682 CA GLY A 48 -5.555 5.388 -5.099 1.00 0.00 C ATOM 683 C GLY A 48 -4.339 5.829 -4.309 1.00 0.00 C ATOM 684 O GLY A 48 -3.939 6.992 -4.368 1.00 0.00 O ATOM 0 H GLY A 48 -5.796 6.151 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.374 5.175 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.328 4.459 -5.621 1.00 0.00 H new ATOM 688 N ARG A 49 -3.749 4.898 -3.565 1.00 0.00 N ATOM 689 CA ARG A 49 -2.573 5.197 -2.757 1.00 0.00 C ATOM 690 C ARG A 49 -1.304 5.141 -3.602 1.00 0.00 C ATOM 691 O ARG A 49 -0.326 5.834 -3.320 1.00 0.00 O ATOM 692 CB ARG A 49 -2.466 4.214 -1.590 1.00 0.00 C ATOM 693 CG ARG A 49 -1.099 4.204 -0.926 1.00 0.00 C ATOM 694 CD ARG A 49 -0.991 5.282 0.141 1.00 0.00 C ATOM 695 NE ARG A 49 -1.505 6.567 -0.326 1.00 0.00 N ATOM 696 CZ ARG A 49 -2.748 6.983 -0.113 1.00 0.00 C ATOM 697 NH1 ARG A 49 -3.600 6.220 0.557 1.00 0.00 N ATOM 698 NH2 ARG A 49 -3.141 8.166 -0.569 1.00 0.00 N ATOM 0 H ARG A 49 -4.067 3.931 -3.505 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.682 6.207 -2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.221 4.464 -0.845 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.693 3.210 -1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.918 3.227 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.326 4.357 -1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.543 4.971 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.052 5.395 0.438 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.874 7.179 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.301 5.311 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.554 6.542 0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.488 8.757 -1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.096 8.484 -0.405 1.00 0.00 H new ATOM 712 N HIS A 50 -1.327 4.310 -4.640 1.00 0.00 N ATOM 713 CA HIS A 50 -0.178 4.163 -5.526 1.00 0.00 C ATOM 714 C HIS A 50 -0.119 5.308 -6.534 1.00 0.00 C ATOM 715 O HIS A 50 0.061 5.085 -7.731 1.00 0.00 O ATOM 716 CB HIS A 50 -0.243 2.824 -6.262 1.00 0.00 C ATOM 717 CG HIS A 50 -0.556 1.664 -5.368 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.403 1.000 -4.632 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.731 1.052 -5.091 1.00 0.00 C ATOM 720 CE1 HIS A 50 -0.168 0.028 -3.943 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.463 0.038 -4.204 1.00 0.00 N ATOM 0 H HIS A 50 -2.128 3.729 -4.888 1.00 0.00 H new ATOM 0 HA HIS A 50 0.725 4.191 -4.917 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.000 2.885 -7.043 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.711 2.644 -6.757 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.699 1.312 -5.493 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.338 -0.658 -3.279 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.152 -0.603 -3.811 1.00 0.00 H new ATOM 729 N ARG A 51 -0.272 6.532 -6.040 1.00 0.00 N ATOM 730 CA ARG A 51 -0.238 7.711 -6.897 1.00 0.00 C ATOM 731 C ARG A 51 1.199 8.157 -7.151 1.00 0.00 C ATOM 732 O ARG A 51 1.631 8.269 -8.298 1.00 0.00 O ATOM 733 CB ARG A 51 -1.034 8.853 -6.262 1.00 0.00 C ATOM 734 CG ARG A 51 -2.499 8.873 -6.666 1.00 0.00 C ATOM 735 CD ARG A 51 -3.137 10.223 -6.380 1.00 0.00 C ATOM 736 NE ARG A 51 -2.481 11.304 -7.109 1.00 0.00 N ATOM 737 CZ ARG A 51 -1.461 12.004 -6.625 1.00 0.00 C ATOM 738 NH1 ARG A 51 -0.984 11.738 -5.417 1.00 0.00 N ATOM 739 NH2 ARG A 51 -0.917 12.974 -7.350 1.00 0.00 N ATOM 0 H ARG A 51 -0.421 6.733 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.693 7.448 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.966 8.772 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.576 9.802 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.588 8.645 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.037 8.093 -6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.192 10.190 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.090 10.427 -5.310 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.825 11.535 -8.041 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.400 10.994 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.201 12.277 -5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.282 13.182 -8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.134 13.511 -6.978 1.00 0.00 H new ATOM 753 N ASP A 52 1.933 8.412 -6.073 1.00 0.00 N ATOM 754 CA ASP A 52 3.321 8.846 -6.179 1.00 0.00 C ATOM 755 C ASP A 52 4.216 7.697 -6.632 1.00 0.00 C ATOM 756 O ASP A 52 5.085 7.873 -7.487 1.00 0.00 O ATOM 757 CB ASP A 52 3.810 9.392 -4.836 1.00 0.00 C ATOM 758 CG ASP A 52 4.954 10.375 -4.993 1.00 0.00 C ATOM 759 OD1 ASP A 52 4.690 11.539 -5.361 1.00 0.00 O ATOM 760 OD2 ASP A 52 6.112 9.980 -4.747 1.00 0.00 O ATOM 0 H ASP A 52 1.590 8.326 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 52 3.373 9.639 -6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.982 9.881 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.131 8.563 -4.205 1.00 0.00 H new ATOM 765 N HIS A 53 4.000 6.521 -6.052 1.00 0.00 N ATOM 766 CA HIS A 53 4.788 5.343 -6.396 1.00 0.00 C ATOM 767 C HIS A 53 5.021 5.265 -7.902 1.00 0.00 C ATOM 768 O HIS A 53 4.168 5.667 -8.692 1.00 0.00 O ATOM 769 CB HIS A 53 4.086 4.074 -5.911 1.00 0.00 C ATOM 770 CG HIS A 53 3.609 4.157 -4.494 1.00 0.00 C ATOM 771 ND1 HIS A 53 2.870 3.163 -3.889 1.00 0.00 N ATOM 772 CD2 HIS A 53 3.770 5.125 -3.561 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.596 3.516 -2.645 1.00 0.00 C ATOM 774 NE2 HIS A 53 3.132 4.702 -2.421 1.00 0.00 N ATOM 0 H HIS A 53 3.286 6.358 -5.342 1.00 0.00 H new ATOM 0 HA HIS A 53 5.755 5.427 -5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.235 3.869 -6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.770 3.231 -6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.301 6.056 -3.690 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.030 2.934 -1.933 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.080 5.220 -1.544 1.00 0.00 H new ATOM 782 N GLN A 54 6.182 4.748 -8.290 1.00 0.00 N ATOM 783 CA GLN A 54 6.527 4.620 -9.701 1.00 0.00 C ATOM 784 C GLN A 54 6.049 3.284 -10.260 1.00 0.00 C ATOM 785 O GLN A 54 6.633 2.237 -9.979 1.00 0.00 O ATOM 786 CB GLN A 54 8.039 4.755 -9.892 1.00 0.00 C ATOM 787 CG GLN A 54 8.486 4.596 -11.337 1.00 0.00 C ATOM 788 CD GLN A 54 9.911 5.062 -11.561 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.166 6.254 -11.736 1.00 0.00 O ATOM 790 NE2 GLN A 54 10.849 4.123 -11.557 1.00 0.00 N ATOM 0 H GLN A 54 6.899 4.411 -7.648 1.00 0.00 H new ATOM 0 HA GLN A 54 6.026 5.420 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.357 5.732 -9.527 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.543 4.007 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.400 3.549 -11.627 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.817 5.162 -11.985 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.593 3.147 -11.408 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.826 4.377 -11.703 1.00 0.00 H new ATOM 799 N VAL A 55 4.983 3.327 -11.052 1.00 0.00 N ATOM 800 CA VAL A 55 4.426 2.120 -11.651 1.00 0.00 C ATOM 801 C VAL A 55 4.940 1.925 -13.073 1.00 0.00 C ATOM 802 O VAL A 55 5.443 2.860 -13.696 1.00 0.00 O ATOM 803 CB VAL A 55 2.887 2.163 -11.674 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.338 2.378 -10.272 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.399 3.250 -12.619 1.00 0.00 C ATOM 0 H VAL A 55 4.487 4.185 -11.294 1.00 0.00 H new ATOM 0 HA VAL A 55 4.749 1.282 -11.033 1.00 0.00 H new ATOM 0 HB VAL A 55 2.519 1.204 -12.039 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.249 2.406 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.659 1.561 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.712 3.322 -9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.309 3.266 -12.623 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.775 4.217 -12.286 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.762 3.047 -13.626 1.00 0.00 H new ATOM 815 N ALA A 56 4.808 0.704 -13.582 1.00 0.00 N ATOM 816 CA ALA A 56 5.257 0.387 -14.932 1.00 0.00 C ATOM 817 C ALA A 56 4.164 -0.329 -15.719 1.00 0.00 C ATOM 818 O ALA A 56 3.868 -1.497 -15.467 1.00 0.00 O ATOM 819 CB ALA A 56 6.518 -0.463 -14.884 1.00 0.00 C ATOM 0 H ALA A 56 4.394 -0.081 -13.080 1.00 0.00 H new ATOM 0 HA ALA A 56 5.483 1.323 -15.442 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.841 -0.692 -15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.306 0.084 -14.367 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.311 -1.391 -14.351 1.00 0.00 H new ATOM 825 N SER A 57 3.568 0.379 -16.673 1.00 0.00 N ATOM 826 CA SER A 57 2.504 -0.188 -17.494 1.00 0.00 C ATOM 827 C SER A 57 2.843 -1.615 -17.912 1.00 0.00 C ATOM 828 O SER A 57 3.991 -1.924 -18.237 1.00 0.00 O ATOM 829 CB SER A 57 2.272 0.677 -18.734 1.00 0.00 C ATOM 830 OG SER A 57 3.458 0.797 -19.501 1.00 0.00 O ATOM 0 H SER A 57 3.804 1.346 -16.897 1.00 0.00 H new ATOM 0 HA SER A 57 1.591 -0.209 -16.899 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.483 0.238 -19.345 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.929 1.666 -18.432 1.00 0.00 H new ATOM 0 HG SER A 57 3.283 1.353 -20.289 1.00 0.00 H new ATOM 836 N LEU A 58 1.837 -2.483 -17.902 1.00 0.00 N ATOM 837 CA LEU A 58 2.027 -3.879 -18.280 1.00 0.00 C ATOM 838 C LEU A 58 1.826 -4.069 -19.780 1.00 0.00 C ATOM 839 O LEU A 58 0.708 -3.972 -20.284 1.00 0.00 O ATOM 840 CB LEU A 58 1.056 -4.773 -17.507 1.00 0.00 C ATOM 841 CG LEU A 58 1.126 -4.680 -15.982 1.00 0.00 C ATOM 842 CD1 LEU A 58 -0.079 -5.357 -15.349 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.418 -5.299 -15.469 1.00 0.00 C ATOM 0 H LEU A 58 0.882 -2.245 -17.636 1.00 0.00 H new ATOM 0 HA LEU A 58 3.050 -4.162 -18.030 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.041 -4.528 -17.820 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.238 -5.808 -17.797 1.00 0.00 H new ATOM 0 HG LEU A 58 1.114 -3.627 -15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.011 -5.280 -14.264 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.992 -4.869 -15.691 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.099 -6.408 -15.638 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.451 -5.224 -14.382 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.460 -6.348 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.270 -4.769 -15.895 1.00 0.00 H new ATOM 855 N ASN A 59 2.917 -4.343 -20.488 1.00 0.00 N ATOM 856 CA ASN A 59 2.861 -4.548 -21.930 1.00 0.00 C ATOM 857 C ASN A 59 2.709 -6.029 -22.263 1.00 0.00 C ATOM 858 O ASN A 59 3.344 -6.883 -21.645 1.00 0.00 O ATOM 859 CB ASN A 59 4.121 -3.991 -22.596 1.00 0.00 C ATOM 860 CG ASN A 59 4.004 -3.943 -24.107 1.00 0.00 C ATOM 861 OD1 ASN A 59 4.234 -4.941 -24.790 1.00 0.00 O ATOM 862 ND2 ASN A 59 3.645 -2.779 -24.636 1.00 0.00 N ATOM 0 H ASN A 59 3.851 -4.428 -20.086 1.00 0.00 H new ATOM 0 HA ASN A 59 1.991 -4.016 -22.313 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.315 -2.987 -22.217 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.977 -4.607 -22.320 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.550 -2.686 -25.647 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.464 -1.978 -24.031 1.00 0.00 H new ATOM 869 N ASP A 60 1.863 -6.326 -23.244 1.00 0.00 N ATOM 870 CA ASP A 60 1.629 -7.703 -23.661 1.00 0.00 C ATOM 871 C ASP A 60 1.250 -7.767 -25.137 1.00 0.00 C ATOM 872 O ASP A 60 0.448 -6.966 -25.618 1.00 0.00 O ATOM 873 CB ASP A 60 0.525 -8.335 -22.811 1.00 0.00 C ATOM 874 CG ASP A 60 -0.752 -7.518 -22.820 1.00 0.00 C ATOM 875 OD1 ASP A 60 -1.458 -7.531 -23.850 1.00 0.00 O ATOM 876 OD2 ASP A 60 -1.045 -6.864 -21.797 1.00 0.00 O ATOM 0 H ASP A 60 1.328 -5.631 -23.765 1.00 0.00 H new ATOM 0 HA ASP A 60 2.554 -8.262 -23.517 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.314 -9.338 -23.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.877 -8.442 -21.785 1.00 0.00 H new ATOM 881 N ARG A 61 1.833 -8.724 -25.852 1.00 0.00 N ATOM 882 CA ARG A 61 1.559 -8.891 -27.274 1.00 0.00 C ATOM 883 C ARG A 61 0.078 -9.172 -27.512 1.00 0.00 C ATOM 884 O ARG A 61 -0.432 -10.228 -27.137 1.00 0.00 O ATOM 885 CB ARG A 61 2.404 -10.030 -27.848 1.00 0.00 C ATOM 886 CG ARG A 61 2.337 -10.134 -29.363 1.00 0.00 C ATOM 887 CD ARG A 61 3.252 -9.119 -30.032 1.00 0.00 C ATOM 888 NE ARG A 61 2.756 -8.719 -31.346 1.00 0.00 N ATOM 889 CZ ARG A 61 3.319 -7.770 -32.086 1.00 0.00 C ATOM 890 NH1 ARG A 61 4.391 -7.128 -31.643 1.00 0.00 N ATOM 891 NH2 ARG A 61 2.810 -7.463 -33.272 1.00 0.00 N ATOM 0 H ARG A 61 2.498 -9.396 -25.469 1.00 0.00 H new ATOM 0 HA ARG A 61 1.822 -7.962 -27.781 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.442 -9.888 -27.548 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.072 -10.972 -27.412 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.620 -11.140 -29.673 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.311 -9.975 -29.695 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.344 -8.239 -29.396 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.251 -9.543 -30.135 1.00 0.00 H new ATOM 0 HE ARG A 61 1.933 -9.194 -31.716 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.786 -7.362 -30.732 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.821 -6.400 -32.213 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.986 -7.956 -33.616 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.243 -6.734 -33.840 1.00 0.00 H new ATOM 905 N PHE A 62 -0.606 -8.221 -28.139 1.00 0.00 N ATOM 906 CA PHE A 62 -2.028 -8.365 -28.426 1.00 0.00 C ATOM 907 C PHE A 62 -2.285 -8.334 -29.930 1.00 0.00 C ATOM 908 O PHE A 62 -1.817 -7.437 -30.631 1.00 0.00 O ATOM 909 CB PHE A 62 -2.824 -7.254 -27.738 1.00 0.00 C ATOM 910 CG PHE A 62 -2.957 -6.009 -28.568 1.00 0.00 C ATOM 911 CD1 PHE A 62 -1.847 -5.231 -28.855 1.00 0.00 C ATOM 912 CD2 PHE A 62 -4.191 -5.618 -29.061 1.00 0.00 C ATOM 913 CE1 PHE A 62 -1.966 -4.085 -29.619 1.00 0.00 C ATOM 914 CE2 PHE A 62 -4.316 -4.473 -29.826 1.00 0.00 C ATOM 915 CZ PHE A 62 -3.202 -3.705 -30.104 1.00 0.00 C ATOM 0 H PHE A 62 -0.198 -7.342 -28.458 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.355 -9.330 -28.039 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.819 -7.628 -27.496 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.340 -7.002 -26.795 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.878 -5.523 -28.478 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.065 -6.214 -28.845 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.093 -3.487 -29.836 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.283 -4.179 -30.206 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.297 -2.809 -30.699 1.00 0.00 H new ATOM 925 N GLU A 63 -3.031 -9.320 -30.418 1.00 0.00 N ATOM 926 CA GLU A 63 -3.349 -9.406 -31.838 1.00 0.00 C ATOM 927 C GLU A 63 -4.858 -9.469 -32.055 1.00 0.00 C ATOM 928 O GLU A 63 -5.438 -8.612 -32.722 1.00 0.00 O ATOM 929 CB GLU A 63 -2.681 -10.634 -32.460 1.00 0.00 C ATOM 930 CG GLU A 63 -3.024 -10.837 -33.926 1.00 0.00 C ATOM 931 CD GLU A 63 -2.575 -12.188 -34.448 1.00 0.00 C ATOM 932 OE1 GLU A 63 -1.392 -12.314 -34.826 1.00 0.00 O ATOM 933 OE2 GLU A 63 -3.407 -13.119 -34.479 1.00 0.00 O ATOM 0 H GLU A 63 -3.426 -10.070 -29.851 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.967 -8.509 -32.324 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.600 -10.539 -32.358 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.977 -11.521 -31.900 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.101 -10.739 -34.060 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.557 -10.050 -34.517 1.00 0.00 H new ATOM 940 N LYS A 64 -5.489 -10.493 -31.489 1.00 0.00 N ATOM 941 CA LYS A 64 -6.930 -10.670 -31.618 1.00 0.00 C ATOM 942 C LYS A 64 -7.593 -10.756 -30.247 1.00 0.00 C ATOM 943 O LYS A 64 -7.615 -11.817 -29.622 1.00 0.00 O ATOM 944 CB LYS A 64 -7.238 -11.934 -32.425 1.00 0.00 C ATOM 945 CG LYS A 64 -8.615 -11.924 -33.067 1.00 0.00 C ATOM 946 CD LYS A 64 -8.678 -10.957 -34.238 1.00 0.00 C ATOM 947 CE LYS A 64 -8.075 -11.565 -35.495 1.00 0.00 C ATOM 948 NZ LYS A 64 -8.960 -12.604 -36.089 1.00 0.00 N ATOM 0 H LYS A 64 -5.024 -11.213 -30.936 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.332 -9.803 -32.142 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.484 -12.051 -33.203 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.158 -12.802 -31.770 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.865 -12.928 -33.409 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.362 -11.646 -32.324 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.715 -10.680 -34.428 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.145 -10.041 -33.984 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.895 -10.779 -36.228 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.107 -12.006 -35.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.639 -12.823 -37.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.923 -13.466 -35.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.937 -12.250 -36.121 1.00 0.00 H new ATOM 962 N LEU A 65 -8.133 -9.634 -29.785 1.00 0.00 N ATOM 963 CA LEU A 65 -8.799 -9.582 -28.488 1.00 0.00 C ATOM 964 C LEU A 65 -10.172 -8.930 -28.607 1.00 0.00 C ATOM 965 O LEU A 65 -10.283 -7.732 -28.870 1.00 0.00 O ATOM 966 CB LEU A 65 -7.941 -8.812 -27.483 1.00 0.00 C ATOM 967 CG LEU A 65 -8.218 -9.097 -26.006 1.00 0.00 C ATOM 968 CD1 LEU A 65 -6.972 -8.847 -25.171 1.00 0.00 C ATOM 969 CD2 LEU A 65 -9.377 -8.247 -25.507 1.00 0.00 C ATOM 0 H LEU A 65 -8.123 -8.747 -30.289 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.932 -10.604 -28.134 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.893 -9.034 -27.685 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.080 -7.745 -27.659 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.494 -10.147 -25.904 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.188 -9.055 -24.123 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.168 -9.500 -25.512 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.665 -7.807 -25.278 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.560 -8.463 -24.454 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.131 -7.192 -25.623 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.272 -8.477 -26.085 1.00 0.00 H new ATOM 981 N LYS A 66 -11.218 -9.725 -28.408 1.00 0.00 N ATOM 982 CA LYS A 66 -12.586 -9.226 -28.489 1.00 0.00 C ATOM 983 C LYS A 66 -13.004 -8.569 -27.177 1.00 0.00 C ATOM 984 O LYS A 66 -12.745 -9.100 -26.097 1.00 0.00 O ATOM 985 CB LYS A 66 -13.548 -10.366 -28.830 1.00 0.00 C ATOM 986 CG LYS A 66 -14.767 -9.919 -29.618 1.00 0.00 C ATOM 987 CD LYS A 66 -14.394 -9.501 -31.031 1.00 0.00 C ATOM 988 CE LYS A 66 -15.612 -9.471 -31.942 1.00 0.00 C ATOM 989 NZ LYS A 66 -15.256 -9.778 -33.355 1.00 0.00 N ATOM 0 H LYS A 66 -11.144 -10.719 -28.189 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.626 -8.477 -29.280 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.013 -11.123 -29.404 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.877 -10.841 -27.906 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.494 -10.730 -29.657 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.247 -9.085 -29.106 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.930 -8.515 -31.010 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.654 -10.193 -31.433 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.348 -10.193 -31.588 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.080 -8.488 -31.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.113 -9.748 -33.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.573 -9.075 -33.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.833 -10.727 -33.408 1.00 0.00 H new ATOM 1003 N GLN A 67 -13.652 -7.414 -27.279 1.00 0.00 N ATOM 1004 CA GLN A 67 -14.106 -6.686 -26.099 1.00 0.00 C ATOM 1005 C GLN A 67 -15.295 -7.388 -25.452 1.00 0.00 C ATOM 1006 O GLN A 67 -16.365 -7.502 -26.051 1.00 0.00 O ATOM 1007 CB GLN A 67 -14.486 -5.253 -26.473 1.00 0.00 C ATOM 1008 CG GLN A 67 -15.617 -5.167 -27.486 1.00 0.00 C ATOM 1009 CD GLN A 67 -16.985 -5.154 -26.833 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -17.120 -4.829 -25.653 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -18.010 -5.509 -27.599 1.00 0.00 N ATOM 0 H GLN A 67 -13.875 -6.962 -28.166 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.287 -6.661 -25.380 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.777 -4.716 -25.570 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.609 -4.747 -26.877 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.496 -4.264 -28.085 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.553 -6.014 -28.169 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.853 -5.771 -28.572 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.955 -5.520 -27.214 1.00 0.00 H new ATOM 1020 N THR A 68 -15.102 -7.857 -24.223 1.00 0.00 N ATOM 1021 CA THR A 68 -16.158 -8.549 -23.494 1.00 0.00 C ATOM 1022 C THR A 68 -16.296 -8.003 -22.077 1.00 0.00 C ATOM 1023 O THR A 68 -15.344 -7.464 -21.513 1.00 0.00 O ATOM 1024 CB THR A 68 -15.892 -10.064 -23.424 1.00 0.00 C ATOM 1025 OG1 THR A 68 -14.531 -10.307 -23.050 1.00 0.00 O ATOM 1026 CG2 THR A 68 -16.181 -10.726 -24.763 1.00 0.00 C ATOM 0 H THR A 68 -14.224 -7.770 -23.712 1.00 0.00 H new ATOM 0 HA THR A 68 -17.085 -8.375 -24.040 1.00 0.00 H new ATOM 0 HB THR A 68 -16.556 -10.492 -22.673 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.371 -11.273 -23.006 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.986 -11.796 -24.690 1.00 0.00 H new ATOM 0 HG22 THR A 68 -17.225 -10.565 -25.031 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.539 -10.292 -25.530 1.00 0.00 H new ATOM 1034 N LEU A 69 -17.488 -8.146 -21.507 1.00 0.00 N ATOM 1035 CA LEU A 69 -17.751 -7.668 -20.154 1.00 0.00 C ATOM 1036 C LEU A 69 -17.788 -8.828 -19.164 1.00 0.00 C ATOM 1037 O LEU A 69 -18.688 -9.666 -19.210 1.00 0.00 O ATOM 1038 CB LEU A 69 -19.075 -6.903 -20.111 1.00 0.00 C ATOM 1039 CG LEU A 69 -19.083 -5.536 -20.797 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -20.500 -4.994 -20.891 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -18.185 -4.560 -20.051 1.00 0.00 C ATOM 0 H LEU A 69 -18.287 -8.589 -21.961 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.941 -6.997 -19.868 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -19.845 -7.523 -20.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -19.358 -6.765 -19.068 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.695 -5.656 -21.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -20.486 -4.021 -21.382 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -21.115 -5.683 -21.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -20.917 -4.889 -19.889 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.203 -3.593 -20.553 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.544 -4.445 -19.028 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.164 -4.943 -20.037 1.00 0.00 H new ATOM 1053 N GLU A 70 -16.806 -8.867 -18.269 1.00 0.00 N ATOM 1054 CA GLU A 70 -16.729 -9.923 -17.267 1.00 0.00 C ATOM 1055 C GLU A 70 -17.281 -9.444 -15.928 1.00 0.00 C ATOM 1056 O GLU A 70 -16.531 -9.004 -15.057 1.00 0.00 O ATOM 1057 CB GLU A 70 -15.282 -10.391 -17.097 1.00 0.00 C ATOM 1058 CG GLU A 70 -14.750 -11.170 -18.288 1.00 0.00 C ATOM 1059 CD GLU A 70 -13.337 -11.674 -18.071 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -13.080 -12.280 -17.010 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -12.488 -11.463 -18.962 1.00 0.00 O ATOM 0 H GLU A 70 -16.054 -8.180 -18.217 1.00 0.00 H new ATOM 0 HA GLU A 70 -17.336 -10.760 -17.612 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.646 -9.522 -16.928 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.213 -11.015 -16.206 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.407 -12.017 -18.487 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.773 -10.534 -19.173 1.00 0.00 H new ATOM 1068 N MET A 71 -18.598 -9.534 -15.771 1.00 0.00 N ATOM 1069 CA MET A 71 -19.251 -9.111 -14.537 1.00 0.00 C ATOM 1070 C MET A 71 -19.607 -10.314 -13.670 1.00 0.00 C ATOM 1071 O MET A 71 -20.745 -10.780 -13.678 1.00 0.00 O ATOM 1072 CB MET A 71 -20.511 -8.304 -14.854 1.00 0.00 C ATOM 1073 CG MET A 71 -20.223 -6.918 -15.409 1.00 0.00 C ATOM 1074 SD MET A 71 -21.629 -5.801 -15.253 1.00 0.00 S ATOM 1075 CE MET A 71 -21.667 -5.075 -16.890 1.00 0.00 C ATOM 0 H MET A 71 -19.233 -9.896 -16.482 1.00 0.00 H new ATOM 0 HA MET A 71 -18.555 -8.481 -13.983 1.00 0.00 H new ATOM 0 HB2 MET A 71 -21.114 -8.856 -15.574 1.00 0.00 H new ATOM 0 HB3 MET A 71 -21.107 -8.206 -13.947 1.00 0.00 H new ATOM 0 HG2 MET A 71 -19.366 -6.493 -14.886 1.00 0.00 H new ATOM 0 HG3 MET A 71 -19.946 -7.002 -16.460 1.00 0.00 H new ATOM 0 HE1 MET A 71 -22.487 -4.359 -16.952 1.00 0.00 H new ATOM 0 HE2 MET A 71 -20.724 -4.564 -17.083 1.00 0.00 H new ATOM 0 HE3 MET A 71 -21.814 -5.859 -17.633 1.00 0.00 H new ATOM 1085 N ASN A 72 -18.626 -10.811 -12.924 1.00 0.00 N ATOM 1086 CA ASN A 72 -18.837 -11.961 -12.052 1.00 0.00 C ATOM 1087 C ASN A 72 -17.927 -11.891 -10.830 1.00 0.00 C ATOM 1088 O ASN A 72 -16.703 -11.826 -10.956 1.00 0.00 O ATOM 1089 CB ASN A 72 -18.583 -13.261 -12.817 1.00 0.00 C ATOM 1090 CG ASN A 72 -19.292 -14.448 -12.193 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -20.202 -15.025 -12.789 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -18.878 -14.817 -10.987 1.00 0.00 N ATOM 0 H ASN A 72 -17.678 -10.436 -12.906 1.00 0.00 H new ATOM 0 HA ASN A 72 -19.873 -11.943 -11.713 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -18.916 -13.143 -13.848 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.511 -13.457 -12.849 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -19.318 -15.608 -10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -18.120 -14.309 -10.531 1.00 0.00 H new ATOM 1099 N LEU A 73 -18.531 -11.906 -9.647 1.00 0.00 N ATOM 1100 CA LEU A 73 -17.776 -11.845 -8.401 1.00 0.00 C ATOM 1101 C LEU A 73 -18.344 -12.817 -7.372 1.00 0.00 C ATOM 1102 O LEU A 73 -19.464 -13.308 -7.516 1.00 0.00 O ATOM 1103 CB LEU A 73 -17.794 -10.422 -7.839 1.00 0.00 C ATOM 1104 CG LEU A 73 -19.176 -9.811 -7.604 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -19.097 -8.692 -6.578 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -19.762 -9.299 -8.911 1.00 0.00 C ATOM 0 H LEU A 73 -19.542 -11.960 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.746 -12.131 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.252 -10.419 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -17.244 -9.776 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 73 -19.834 -10.588 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -20.090 -8.269 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.721 -9.089 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.424 -7.915 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.746 -8.868 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -19.105 -8.537 -9.330 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.856 -10.125 -9.616 1.00 0.00 H new ATOM 1118 N THR A 74 -17.564 -13.091 -6.330 1.00 0.00 N ATOM 1119 CA THR A 74 -17.989 -14.003 -5.276 1.00 0.00 C ATOM 1120 C THR A 74 -17.766 -13.392 -3.897 1.00 0.00 C ATOM 1121 O THR A 74 -18.698 -13.271 -3.104 1.00 0.00 O ATOM 1122 CB THR A 74 -17.237 -15.345 -5.358 1.00 0.00 C ATOM 1123 OG1 THR A 74 -15.824 -15.117 -5.344 1.00 0.00 O ATOM 1124 CG2 THR A 74 -17.621 -16.104 -6.620 1.00 0.00 C ATOM 0 H THR A 74 -16.634 -12.694 -6.194 1.00 0.00 H new ATOM 0 HA THR A 74 -19.054 -14.182 -5.423 1.00 0.00 H new ATOM 0 HB THR A 74 -17.516 -15.946 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 74 -15.354 -15.975 -5.395 1.00 0.00 H new ATOM 0 HG21 THR A 74 -17.078 -17.048 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 74 -18.693 -16.302 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 74 -17.368 -15.506 -7.495 1.00 0.00 H new ATOM 1132 N ASN A 75 -16.524 -13.009 -3.619 1.00 0.00 N ATOM 1133 CA ASN A 75 -16.178 -12.410 -2.335 1.00 0.00 C ATOM 1134 C ASN A 75 -15.067 -11.378 -2.497 1.00 0.00 C ATOM 1135 O ASN A 75 -14.275 -11.445 -3.438 1.00 0.00 O ATOM 1136 CB ASN A 75 -15.744 -13.493 -1.344 1.00 0.00 C ATOM 1137 CG ASN A 75 -16.913 -14.076 -0.576 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -18.045 -13.606 -0.694 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -16.645 -15.107 0.218 1.00 0.00 N ATOM 0 H ASN A 75 -15.741 -13.103 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 75 -17.063 -11.906 -1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.233 -14.291 -1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -15.025 -13.072 -0.641 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.392 -15.541 0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.692 -15.465 0.286 1.00 0.00 H new ATOM 1146 N LEU A 76 -15.014 -10.424 -1.574 1.00 0.00 N ATOM 1147 CA LEU A 76 -13.999 -9.377 -1.614 1.00 0.00 C ATOM 1148 C LEU A 76 -12.619 -9.966 -1.886 1.00 0.00 C ATOM 1149 O LEU A 76 -12.261 -11.013 -1.344 1.00 0.00 O ATOM 1150 CB LEU A 76 -13.985 -8.603 -0.295 1.00 0.00 C ATOM 1151 CG LEU A 76 -12.903 -7.530 -0.157 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -13.382 -6.402 0.744 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -11.616 -8.137 0.382 1.00 0.00 C ATOM 0 H LEU A 76 -15.662 -10.354 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.248 -8.694 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -14.958 -8.128 -0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.867 -9.316 0.521 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.700 -7.116 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -12.599 -5.648 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.276 -5.949 0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.614 -6.799 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.858 -7.360 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.804 -8.578 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.263 -8.909 -0.302 1.00 0.00 H new ATOM 1165 N VAL A 77 -11.845 -9.287 -2.727 1.00 0.00 N ATOM 1166 CA VAL A 77 -10.503 -9.741 -3.068 1.00 0.00 C ATOM 1167 C VAL A 77 -9.445 -8.946 -2.311 1.00 0.00 C ATOM 1168 O VAL A 77 -9.501 -7.718 -2.248 1.00 0.00 O ATOM 1169 CB VAL A 77 -10.236 -9.619 -4.580 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -8.818 -10.059 -4.909 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -11.252 -10.434 -5.367 1.00 0.00 C ATOM 0 H VAL A 77 -12.125 -8.420 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.441 -10.790 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.342 -8.573 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.648 -9.966 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.108 -9.429 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.680 -11.098 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.049 -10.337 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.180 -11.483 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.256 -10.067 -5.154 1.00 0.00 H new ATOM 1181 N LYS A 78 -8.478 -9.654 -1.737 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.404 -9.016 -0.984 1.00 0.00 C ATOM 1183 C LYS A 78 -6.268 -9.999 -0.718 1.00 0.00 C ATOM 1184 O LYS A 78 -6.376 -11.185 -1.028 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.939 -8.466 0.340 1.00 0.00 C ATOM 1186 CG LYS A 78 -8.458 -9.541 1.279 1.00 0.00 C ATOM 1187 CD LYS A 78 -8.423 -9.081 2.727 1.00 0.00 C ATOM 1188 CE LYS A 78 -9.598 -8.171 3.051 1.00 0.00 C ATOM 1189 NZ LYS A 78 -9.869 -8.115 4.514 1.00 0.00 N ATOM 0 H LYS A 78 -8.416 -10.671 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.014 -8.192 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.146 -7.910 0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.742 -7.758 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.480 -9.803 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.857 -10.443 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.441 -9.949 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.489 -8.554 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.392 -7.167 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.487 -8.527 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.677 -7.485 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.090 -9.069 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.030 -7.752 5.009 1.00 0.00 H new ATOM 1203 N SER A 79 -5.181 -9.497 -0.141 1.00 0.00 N ATOM 1204 CA SER A 79 -4.024 -10.330 0.165 1.00 0.00 C ATOM 1205 C SER A 79 -3.768 -11.335 -0.954 1.00 0.00 C ATOM 1206 O SER A 79 -3.513 -12.512 -0.700 1.00 0.00 O ATOM 1207 CB SER A 79 -4.236 -11.067 1.489 1.00 0.00 C ATOM 1208 OG SER A 79 -4.004 -10.210 2.593 1.00 0.00 O ATOM 0 H SER A 79 -5.077 -8.517 0.124 1.00 0.00 H new ATOM 0 HA SER A 79 -3.153 -9.681 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.254 -11.455 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.565 -11.924 1.543 1.00 0.00 H new ATOM 0 HG SER A 79 -4.148 -10.704 3.427 1.00 0.00 H new ATOM 1214 N GLY A 80 -3.837 -10.861 -2.194 1.00 0.00 N ATOM 1215 CA GLY A 80 -3.610 -11.729 -3.334 1.00 0.00 C ATOM 1216 C GLY A 80 -2.153 -12.121 -3.484 1.00 0.00 C ATOM 1217 O GLY A 80 -1.246 -11.344 -3.186 1.00 0.00 O ATOM 0 H GLY A 80 -4.046 -9.891 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.216 -12.629 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.943 -11.226 -4.242 1.00 0.00 H new ATOM 1221 N PRO A 81 -1.913 -13.354 -3.954 1.00 0.00 N ATOM 1222 CA PRO A 81 -0.557 -13.876 -4.151 1.00 0.00 C ATOM 1223 C PRO A 81 0.165 -13.189 -5.305 1.00 0.00 C ATOM 1224 O PRO A 81 -0.462 -12.559 -6.156 1.00 0.00 O ATOM 1225 CB PRO A 81 -0.789 -15.355 -4.470 1.00 0.00 C ATOM 1226 CG PRO A 81 -2.167 -15.409 -5.034 1.00 0.00 C ATOM 1227 CD PRO A 81 -2.946 -14.334 -4.328 1.00 0.00 C ATOM 0 HA PRO A 81 0.075 -13.708 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.054 -15.726 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.703 -15.971 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.155 -15.239 -6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.617 -16.388 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.702 -13.893 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.466 -14.724 -3.453 1.00 0.00 H new ATOM 1235 N SER A 82 1.488 -13.316 -5.328 1.00 0.00 N ATOM 1236 CA SER A 82 2.297 -12.704 -6.376 1.00 0.00 C ATOM 1237 C SER A 82 2.842 -13.763 -7.329 1.00 0.00 C ATOM 1238 O SER A 82 3.996 -13.698 -7.753 1.00 0.00 O ATOM 1239 CB SER A 82 3.452 -11.911 -5.762 1.00 0.00 C ATOM 1240 OG SER A 82 4.216 -12.720 -4.885 1.00 0.00 O ATOM 0 H SER A 82 2.022 -13.837 -4.633 1.00 0.00 H new ATOM 0 HA SER A 82 1.660 -12.024 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.092 -11.523 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.059 -11.051 -5.219 1.00 0.00 H new ATOM 0 HG SER A 82 4.949 -12.191 -4.507 1.00 0.00 H new ATOM 1246 N SER A 83 2.004 -14.740 -7.661 1.00 0.00 N ATOM 1247 CA SER A 83 2.402 -15.816 -8.561 1.00 0.00 C ATOM 1248 C SER A 83 1.654 -15.720 -9.887 1.00 0.00 C ATOM 1249 O SER A 83 0.482 -15.349 -9.926 1.00 0.00 O ATOM 1250 CB SER A 83 2.139 -17.176 -7.911 1.00 0.00 C ATOM 1251 OG SER A 83 3.173 -17.517 -7.004 1.00 0.00 O ATOM 0 H SER A 83 1.045 -14.808 -7.320 1.00 0.00 H new ATOM 0 HA SER A 83 3.469 -15.716 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 83 1.184 -17.153 -7.386 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.061 -17.942 -8.682 1.00 0.00 H new ATOM 0 HG SER A 83 2.980 -18.389 -6.601 1.00 0.00 H new ATOM 1257 N GLY A 84 2.342 -16.059 -10.973 1.00 0.00 N ATOM 1258 CA GLY A 84 1.728 -16.005 -12.287 1.00 0.00 C ATOM 1259 C GLY A 84 2.419 -15.019 -13.209 1.00 0.00 C ATOM 1260 O GLY A 84 3.591 -15.216 -13.527 1.00 0.00 O ATOM 0 H GLY A 84 3.313 -16.370 -10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.752 -16.997 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.679 -15.727 -12.184 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.717 -0.443 -8.303 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.278 1.454 -4.716 1.00 0.00 ZN