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 14 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 SER OG : rot -133:sc= -3.49! USER MOD Set 2.1: A 15 HIS : no HD1:sc= -3.65! K(o=-3.7!,f=-2.8) USER MOD Set 2.2: A 71 MET CE :methyl -158:sc= -0.068 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.113 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.151 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 20 THR OG1 : rot -170:sc= -0.2 USER MOD Single : A 26 ASN : amide:sc=-0.00853 X(o=-0.0085,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.364 K(o=-0.36,f=-1) USER MOD Single : A 31 MET CE :methyl -114:sc= -1.59 (180deg=-3.36!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.14 (180deg=1.03) USER MOD Single : A 54 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0256 K(o=-0.026,f=-0.78) USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.125 (180deg=-0.678) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.41) USER MOD Single : A 68 THR OG1 : rot 50:sc= 0.715 USER MOD Single : A 72 ASN : amide:sc= -2.28! K(o=-2.3!,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.459 K(o=-0.46,f=-3.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 52:sc= 0.361 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.805 -41.460 0.589 1.00 0.00 N ATOM 2 CA GLY A 1 -38.204 -40.073 0.743 1.00 0.00 C ATOM 3 C GLY A 1 -37.018 -39.142 0.902 1.00 0.00 C ATOM 4 O GLY A 1 -35.875 -39.591 0.979 1.00 0.00 O ATOM 0 H1 GLY A 1 -38.134 -41.816 -0.331 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.769 -41.530 0.637 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.227 -42.029 1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.788 -39.768 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.854 -39.980 1.613 1.00 0.00 H new ATOM 8 N SER A 2 -37.291 -37.842 0.949 1.00 0.00 N ATOM 9 CA SER A 2 -36.237 -36.845 1.094 1.00 0.00 C ATOM 10 C SER A 2 -36.828 -35.447 1.246 1.00 0.00 C ATOM 11 O SER A 2 -38.010 -35.228 0.977 1.00 0.00 O ATOM 12 CB SER A 2 -35.298 -36.885 -0.113 1.00 0.00 C ATOM 13 OG SER A 2 -34.248 -35.944 0.026 1.00 0.00 O ATOM 0 H SER A 2 -38.233 -37.455 0.889 1.00 0.00 H new ATOM 0 HA SER A 2 -35.670 -37.081 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.881 -37.886 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.861 -36.675 -1.023 1.00 0.00 H new ATOM 0 HG SER A 2 -33.661 -35.991 -0.757 1.00 0.00 H new ATOM 19 N SER A 3 -35.998 -34.504 1.679 1.00 0.00 N ATOM 20 CA SER A 3 -36.439 -33.127 1.871 1.00 0.00 C ATOM 21 C SER A 3 -35.249 -32.206 2.126 1.00 0.00 C ATOM 22 O SER A 3 -34.115 -32.662 2.260 1.00 0.00 O ATOM 23 CB SER A 3 -37.423 -33.042 3.039 1.00 0.00 C ATOM 24 OG SER A 3 -36.749 -33.137 4.282 1.00 0.00 O ATOM 0 H SER A 3 -35.017 -34.668 1.904 1.00 0.00 H new ATOM 0 HA SER A 3 -36.940 -32.802 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.970 -32.101 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.158 -33.843 2.958 1.00 0.00 H new ATOM 0 HG SER A 3 -37.400 -33.078 5.012 1.00 0.00 H new ATOM 30 N GLY A 4 -35.519 -30.906 2.191 1.00 0.00 N ATOM 31 CA GLY A 4 -34.461 -29.941 2.430 1.00 0.00 C ATOM 32 C GLY A 4 -34.977 -28.516 2.474 1.00 0.00 C ATOM 33 O GLY A 4 -36.183 -28.282 2.401 1.00 0.00 O ATOM 0 H GLY A 4 -36.450 -30.504 2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.966 -30.175 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.709 -30.028 1.645 1.00 0.00 H new ATOM 37 N SER A 5 -34.061 -27.560 2.596 1.00 0.00 N ATOM 38 CA SER A 5 -34.430 -26.151 2.656 1.00 0.00 C ATOM 39 C SER A 5 -33.237 -25.262 2.315 1.00 0.00 C ATOM 40 O SER A 5 -32.132 -25.751 2.080 1.00 0.00 O ATOM 41 CB SER A 5 -34.960 -25.799 4.048 1.00 0.00 C ATOM 42 OG SER A 5 -35.869 -24.714 3.988 1.00 0.00 O ATOM 0 H SER A 5 -33.058 -27.736 2.655 1.00 0.00 H new ATOM 0 HA SER A 5 -35.215 -25.975 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.454 -26.668 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.128 -25.544 4.704 1.00 0.00 H new ATOM 0 HG SER A 5 -36.195 -24.510 4.890 1.00 0.00 H new ATOM 48 N SER A 6 -33.471 -23.954 2.288 1.00 0.00 N ATOM 49 CA SER A 6 -32.418 -22.996 1.972 1.00 0.00 C ATOM 50 C SER A 6 -31.142 -23.317 2.743 1.00 0.00 C ATOM 51 O SER A 6 -31.176 -23.561 3.948 1.00 0.00 O ATOM 52 CB SER A 6 -32.879 -21.574 2.295 1.00 0.00 C ATOM 53 OG SER A 6 -31.813 -20.650 2.167 1.00 0.00 O ATOM 0 H SER A 6 -34.380 -23.533 2.481 1.00 0.00 H new ATOM 0 HA SER A 6 -32.205 -23.067 0.905 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.692 -21.291 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.275 -21.539 3.310 1.00 0.00 H new ATOM 0 HG SER A 6 -32.135 -19.748 2.377 1.00 0.00 H new ATOM 59 N GLY A 7 -30.014 -23.314 2.038 1.00 0.00 N ATOM 60 CA GLY A 7 -28.742 -23.606 2.671 1.00 0.00 C ATOM 61 C GLY A 7 -27.582 -22.906 1.992 1.00 0.00 C ATOM 62 O GLY A 7 -27.682 -21.734 1.628 1.00 0.00 O ATOM 0 H GLY A 7 -29.959 -23.114 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.783 -23.303 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.571 -24.682 2.657 1.00 0.00 H new ATOM 66 N VAL A 8 -26.476 -23.623 1.823 1.00 0.00 N ATOM 67 CA VAL A 8 -25.291 -23.063 1.184 1.00 0.00 C ATOM 68 C VAL A 8 -25.109 -23.623 -0.222 1.00 0.00 C ATOM 69 O VAL A 8 -24.509 -24.681 -0.406 1.00 0.00 O ATOM 70 CB VAL A 8 -24.021 -23.349 2.007 1.00 0.00 C ATOM 71 CG1 VAL A 8 -22.789 -22.822 1.288 1.00 0.00 C ATOM 72 CG2 VAL A 8 -24.139 -22.742 3.397 1.00 0.00 C ATOM 0 H VAL A 8 -26.376 -24.594 2.120 1.00 0.00 H new ATOM 0 HA VAL A 8 -25.442 -21.985 1.126 1.00 0.00 H new ATOM 0 HB VAL A 8 -23.914 -24.428 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -21.901 -23.033 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -22.698 -23.309 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -22.883 -21.745 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.233 -22.954 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -24.271 -21.663 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -24.998 -23.173 3.911 1.00 0.00 H new ATOM 82 N GLU A 9 -25.631 -22.904 -1.212 1.00 0.00 N ATOM 83 CA GLU A 9 -25.526 -23.330 -2.602 1.00 0.00 C ATOM 84 C GLU A 9 -24.135 -23.884 -2.898 1.00 0.00 C ATOM 85 O GLU A 9 -23.142 -23.498 -2.280 1.00 0.00 O ATOM 86 CB GLU A 9 -25.832 -22.162 -3.541 1.00 0.00 C ATOM 87 CG GLU A 9 -24.872 -20.993 -3.392 1.00 0.00 C ATOM 88 CD GLU A 9 -25.233 -19.824 -4.287 1.00 0.00 C ATOM 89 OE1 GLU A 9 -26.440 -19.599 -4.513 1.00 0.00 O ATOM 90 OE2 GLU A 9 -24.307 -19.134 -4.763 1.00 0.00 O ATOM 0 H GLU A 9 -26.130 -22.025 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.256 -24.122 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -25.801 -22.517 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -26.848 -21.813 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -24.867 -20.662 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.861 -21.326 -3.626 1.00 0.00 H new ATOM 97 N PRO A 10 -24.060 -24.810 -3.865 1.00 0.00 N ATOM 98 CA PRO A 10 -22.797 -25.437 -4.265 1.00 0.00 C ATOM 99 C PRO A 10 -21.871 -24.465 -4.989 1.00 0.00 C ATOM 100 O PRO A 10 -22.236 -23.894 -6.017 1.00 0.00 O ATOM 101 CB PRO A 10 -23.240 -26.557 -5.209 1.00 0.00 C ATOM 102 CG PRO A 10 -24.552 -26.102 -5.747 1.00 0.00 C ATOM 103 CD PRO A 10 -25.203 -25.317 -4.642 1.00 0.00 C ATOM 0 HA PRO A 10 -22.226 -25.787 -3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -22.516 -26.710 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -23.336 -27.505 -4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.417 -25.486 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -25.170 -26.951 -6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.815 -24.504 -5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -25.856 -25.944 -4.034 1.00 0.00 H new ATOM 111 N VAL A 11 -20.672 -24.282 -4.447 1.00 0.00 N ATOM 112 CA VAL A 11 -19.693 -23.380 -5.043 1.00 0.00 C ATOM 113 C VAL A 11 -18.297 -23.992 -5.020 1.00 0.00 C ATOM 114 O VAL A 11 -17.867 -24.582 -4.029 1.00 0.00 O ATOM 115 CB VAL A 11 -19.660 -22.025 -4.312 1.00 0.00 C ATOM 116 CG1 VAL A 11 -18.641 -21.096 -4.954 1.00 0.00 C ATOM 117 CG2 VAL A 11 -21.043 -21.390 -4.305 1.00 0.00 C ATOM 0 H VAL A 11 -20.355 -24.746 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 11 -19.999 -23.219 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.359 -22.197 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.632 -20.144 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -17.651 -21.550 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -18.908 -20.928 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -21.001 -20.433 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.375 -21.231 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.744 -22.050 -3.795 1.00 0.00 H new ATOM 127 N PRO A 12 -17.569 -23.848 -6.137 1.00 0.00 N ATOM 128 CA PRO A 12 -16.209 -24.378 -6.270 1.00 0.00 C ATOM 129 C PRO A 12 -15.206 -23.625 -5.403 1.00 0.00 C ATOM 130 O PRO A 12 -15.581 -22.763 -4.609 1.00 0.00 O ATOM 131 CB PRO A 12 -15.892 -24.174 -7.754 1.00 0.00 C ATOM 132 CG PRO A 12 -16.761 -23.039 -8.174 1.00 0.00 C ATOM 133 CD PRO A 12 -18.018 -23.155 -7.357 1.00 0.00 C ATOM 0 HA PRO A 12 -16.143 -25.416 -5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.838 -23.943 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.107 -25.073 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.267 -22.083 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.982 -23.091 -9.240 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.442 -22.177 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.787 -23.722 -7.881 1.00 0.00 H new ATOM 141 N ASP A 13 -13.929 -23.957 -5.560 1.00 0.00 N ATOM 142 CA ASP A 13 -12.871 -23.311 -4.792 1.00 0.00 C ATOM 143 C ASP A 13 -12.063 -22.362 -5.672 1.00 0.00 C ATOM 144 O ASP A 13 -12.319 -22.238 -6.870 1.00 0.00 O ATOM 145 CB ASP A 13 -11.949 -24.361 -4.171 1.00 0.00 C ATOM 146 CG ASP A 13 -11.672 -25.517 -5.111 1.00 0.00 C ATOM 147 OD1 ASP A 13 -12.622 -26.263 -5.429 1.00 0.00 O ATOM 148 OD2 ASP A 13 -10.506 -25.678 -5.527 1.00 0.00 O ATOM 0 H ASP A 13 -13.602 -24.670 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.336 -22.731 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.006 -23.892 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.402 -24.742 -3.255 1.00 0.00 H new ATOM 153 N THR A 14 -11.084 -21.694 -5.070 1.00 0.00 N ATOM 154 CA THR A 14 -10.239 -20.755 -5.797 1.00 0.00 C ATOM 155 C THR A 14 -9.225 -21.488 -6.666 1.00 0.00 C ATOM 156 O THR A 14 -8.818 -22.607 -6.354 1.00 0.00 O ATOM 157 CB THR A 14 -9.490 -19.813 -4.836 1.00 0.00 C ATOM 158 OG1 THR A 14 -8.639 -20.572 -3.970 1.00 0.00 O ATOM 159 CG2 THR A 14 -10.468 -18.996 -4.005 1.00 0.00 C ATOM 0 H THR A 14 -10.857 -21.786 -4.080 1.00 0.00 H new ATOM 0 HA THR A 14 -10.898 -20.164 -6.433 1.00 0.00 H new ATOM 0 HB THR A 14 -8.885 -19.129 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.165 -19.966 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.915 -18.339 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.094 -18.397 -4.666 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.096 -19.667 -3.419 1.00 0.00 H new ATOM 167 N HIS A 15 -8.818 -20.850 -7.760 1.00 0.00 N ATOM 168 CA HIS A 15 -7.849 -21.442 -8.675 1.00 0.00 C ATOM 169 C HIS A 15 -6.739 -20.450 -9.007 1.00 0.00 C ATOM 170 O HIS A 15 -5.562 -20.811 -9.054 1.00 0.00 O ATOM 171 CB HIS A 15 -8.541 -21.899 -9.959 1.00 0.00 C ATOM 172 CG HIS A 15 -8.959 -20.770 -10.849 1.00 0.00 C ATOM 173 ND1 HIS A 15 -8.512 -20.629 -12.146 1.00 0.00 N ATOM 174 CD2 HIS A 15 -9.789 -19.725 -10.623 1.00 0.00 C ATOM 175 CE1 HIS A 15 -9.048 -19.545 -12.678 1.00 0.00 C ATOM 176 NE2 HIS A 15 -9.827 -18.978 -11.775 1.00 0.00 N ATOM 0 H HIS A 15 -9.145 -19.923 -8.034 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.404 -22.307 -8.183 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.868 -22.555 -10.511 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -9.419 -22.489 -9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.322 -19.517 -9.707 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.878 -19.184 -13.681 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.369 -18.124 -11.911 1.00 0.00 H new ATOM 184 N LEU A 16 -7.120 -19.198 -9.237 1.00 0.00 N ATOM 185 CA LEU A 16 -6.157 -18.153 -9.565 1.00 0.00 C ATOM 186 C LEU A 16 -6.564 -16.822 -8.942 1.00 0.00 C ATOM 187 O LEU A 16 -7.737 -16.447 -8.967 1.00 0.00 O ATOM 188 CB LEU A 16 -6.035 -18.003 -11.083 1.00 0.00 C ATOM 189 CG LEU A 16 -5.249 -19.098 -11.804 1.00 0.00 C ATOM 190 CD1 LEU A 16 -5.660 -19.174 -13.267 1.00 0.00 C ATOM 191 CD2 LEU A 16 -3.753 -18.850 -11.681 1.00 0.00 C ATOM 0 H LEU A 16 -8.089 -18.882 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.189 -18.443 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.039 -17.965 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.563 -17.044 -11.297 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.478 -20.054 -11.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.090 -19.959 -13.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.724 -19.400 -13.335 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.460 -18.218 -13.751 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.209 -19.639 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.506 -17.886 -12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.470 -18.847 -10.628 1.00 0.00 H new ATOM 203 N ARG A 17 -5.588 -16.111 -8.386 1.00 0.00 N ATOM 204 CA ARG A 17 -5.845 -14.821 -7.758 1.00 0.00 C ATOM 205 C ARG A 17 -6.773 -13.971 -8.621 1.00 0.00 C ATOM 206 O ARG A 17 -6.570 -13.842 -9.828 1.00 0.00 O ATOM 207 CB ARG A 17 -4.531 -14.076 -7.517 1.00 0.00 C ATOM 208 CG ARG A 17 -4.661 -12.907 -6.555 1.00 0.00 C ATOM 209 CD ARG A 17 -4.625 -13.369 -5.107 1.00 0.00 C ATOM 210 NE ARG A 17 -3.284 -13.776 -4.695 1.00 0.00 N ATOM 211 CZ ARG A 17 -2.959 -14.077 -3.443 1.00 0.00 C ATOM 212 NH1 ARG A 17 -3.874 -14.018 -2.485 1.00 0.00 N ATOM 213 NH2 ARG A 17 -1.717 -14.438 -3.147 1.00 0.00 N ATOM 0 H ARG A 17 -4.612 -16.407 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.333 -15.003 -6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.793 -14.776 -7.127 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.150 -13.710 -8.471 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.852 -12.198 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.595 -12.379 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.974 -12.563 -4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.313 -14.204 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.557 -13.832 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.830 -13.741 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.622 -14.250 -1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.011 -14.485 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.469 -14.669 -2.185 1.00 0.00 H new ATOM 227 N GLY A 18 -7.792 -13.392 -7.993 1.00 0.00 N ATOM 228 CA GLY A 18 -8.736 -12.562 -8.720 1.00 0.00 C ATOM 229 C GLY A 18 -8.058 -11.674 -9.744 1.00 0.00 C ATOM 230 O GLY A 18 -7.247 -10.817 -9.392 1.00 0.00 O ATOM 0 H GLY A 18 -7.981 -13.483 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.464 -13.199 -9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.288 -11.941 -8.014 1.00 0.00 H new ATOM 234 N ILE A 19 -8.389 -11.879 -11.014 1.00 0.00 N ATOM 235 CA ILE A 19 -7.806 -11.090 -12.092 1.00 0.00 C ATOM 236 C ILE A 19 -7.874 -9.598 -11.780 1.00 0.00 C ATOM 237 O ILE A 19 -6.862 -8.897 -11.820 1.00 0.00 O ATOM 238 CB ILE A 19 -8.517 -11.355 -13.432 1.00 0.00 C ATOM 239 CG1 ILE A 19 -8.463 -12.845 -13.777 1.00 0.00 C ATOM 240 CG2 ILE A 19 -7.885 -10.526 -14.540 1.00 0.00 C ATOM 241 CD1 ILE A 19 -7.067 -13.345 -14.076 1.00 0.00 C ATOM 0 H ILE A 19 -9.058 -12.585 -11.322 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.763 -11.394 -12.177 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.562 -11.061 -13.336 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.875 -13.417 -12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.101 -13.033 -14.641 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.398 -10.724 -15.481 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.971 -9.467 -14.296 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.832 -10.792 -14.638 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.104 -14.408 -14.312 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.659 -12.799 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.430 -13.189 -13.205 1.00 0.00 H new ATOM 253 N THR A 20 -9.073 -9.119 -11.467 1.00 0.00 N ATOM 254 CA THR A 20 -9.274 -7.711 -11.147 1.00 0.00 C ATOM 255 C THR A 20 -8.269 -7.235 -10.104 1.00 0.00 C ATOM 256 O THR A 20 -7.408 -7.998 -9.664 1.00 0.00 O ATOM 257 CB THR A 20 -10.700 -7.451 -10.626 1.00 0.00 C ATOM 258 OG1 THR A 20 -11.007 -8.362 -9.565 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.721 -7.603 -11.743 1.00 0.00 C ATOM 0 H THR A 20 -9.920 -9.685 -11.428 1.00 0.00 H new ATOM 0 HA THR A 20 -9.126 -7.153 -12.071 1.00 0.00 H new ATOM 0 HB THR A 20 -10.745 -6.428 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.960 -8.300 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.720 -7.415 -11.351 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.502 -6.888 -12.536 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.674 -8.615 -12.144 1.00 0.00 H new ATOM 267 N CYS A 21 -8.384 -5.971 -9.712 1.00 0.00 N ATOM 268 CA CYS A 21 -7.485 -5.393 -8.720 1.00 0.00 C ATOM 269 C CYS A 21 -7.998 -5.651 -7.306 1.00 0.00 C ATOM 270 O CYS A 21 -9.181 -5.464 -7.019 1.00 0.00 O ATOM 271 CB CYS A 21 -7.335 -3.888 -8.953 1.00 0.00 C ATOM 272 SG CYS A 21 -6.634 -2.983 -7.536 1.00 0.00 S ATOM 0 H CYS A 21 -9.091 -5.327 -10.066 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.511 -5.870 -8.827 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.699 -3.727 -9.824 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.313 -3.469 -9.191 1.00 0.00 H new ATOM 277 N LEU A 22 -7.100 -6.082 -6.427 1.00 0.00 N ATOM 278 CA LEU A 22 -7.460 -6.365 -5.042 1.00 0.00 C ATOM 279 C LEU A 22 -8.407 -5.302 -4.497 1.00 0.00 C ATOM 280 O LEU A 22 -9.582 -5.572 -4.247 1.00 0.00 O ATOM 281 CB LEU A 22 -6.204 -6.440 -4.173 1.00 0.00 C ATOM 282 CG LEU A 22 -5.145 -7.454 -4.608 1.00 0.00 C ATOM 283 CD1 LEU A 22 -3.889 -7.310 -3.763 1.00 0.00 C ATOM 284 CD2 LEU A 22 -5.693 -8.870 -4.515 1.00 0.00 C ATOM 0 H LEU A 22 -6.117 -6.243 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.971 -7.328 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.744 -5.452 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.506 -6.676 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.884 -7.254 -5.647 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.147 -8.040 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.485 -6.305 -3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.134 -7.482 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.926 -9.578 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.983 -9.081 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.563 -8.967 -5.164 1.00 0.00 H new ATOM 296 N ASP A 23 -7.889 -4.092 -4.316 1.00 0.00 N ATOM 297 CA ASP A 23 -8.690 -2.986 -3.804 1.00 0.00 C ATOM 298 C ASP A 23 -9.930 -2.769 -4.665 1.00 0.00 C ATOM 299 O ASP A 23 -11.033 -2.588 -4.148 1.00 0.00 O ATOM 300 CB ASP A 23 -7.856 -1.704 -3.756 1.00 0.00 C ATOM 301 CG ASP A 23 -8.360 -0.725 -2.714 1.00 0.00 C ATOM 302 OD1 ASP A 23 -9.576 -0.441 -2.705 1.00 0.00 O ATOM 303 OD2 ASP A 23 -7.538 -0.243 -1.908 1.00 0.00 O ATOM 0 H ASP A 23 -6.918 -3.852 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.011 -3.239 -2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.818 -1.957 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.871 -1.227 -4.736 1.00 0.00 H new ATOM 308 N HIS A 24 -9.742 -2.786 -5.980 1.00 0.00 N ATOM 309 CA HIS A 24 -10.846 -2.591 -6.913 1.00 0.00 C ATOM 310 C HIS A 24 -11.083 -3.847 -7.746 1.00 0.00 C ATOM 311 O HIS A 24 -10.354 -4.116 -8.700 1.00 0.00 O ATOM 312 CB HIS A 24 -10.561 -1.402 -7.832 1.00 0.00 C ATOM 313 CG HIS A 24 -9.940 -0.236 -7.126 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.578 -0.029 -7.068 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.504 0.791 -6.448 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.331 1.073 -6.384 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.483 1.590 -5.997 1.00 0.00 N ATOM 0 H HIS A 24 -8.836 -2.933 -6.424 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.746 -2.386 -6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.899 -1.725 -8.635 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.493 -1.081 -8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.560 0.952 -6.291 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.353 1.482 -6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.596 2.444 -5.451 1.00 0.00 H new ATOM 325 N GLU A 25 -12.106 -4.612 -7.378 1.00 0.00 N ATOM 326 CA GLU A 25 -12.437 -5.840 -8.091 1.00 0.00 C ATOM 327 C GLU A 25 -13.283 -5.542 -9.325 1.00 0.00 C ATOM 328 O GLU A 25 -14.145 -6.333 -9.706 1.00 0.00 O ATOM 329 CB GLU A 25 -13.183 -6.806 -7.169 1.00 0.00 C ATOM 330 CG GLU A 25 -14.526 -6.279 -6.693 1.00 0.00 C ATOM 331 CD GLU A 25 -14.425 -5.524 -5.382 1.00 0.00 C ATOM 332 OE1 GLU A 25 -13.672 -5.975 -4.493 1.00 0.00 O ATOM 333 OE2 GLU A 25 -15.100 -4.482 -5.244 1.00 0.00 O ATOM 0 H GLU A 25 -12.720 -4.403 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.505 -6.304 -8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.338 -7.749 -7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.559 -7.022 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.945 -5.622 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.218 -7.113 -6.575 1.00 0.00 H new ATOM 340 N ASN A 26 -13.031 -4.393 -9.945 1.00 0.00 N ATOM 341 CA ASN A 26 -13.770 -3.989 -11.136 1.00 0.00 C ATOM 342 C ASN A 26 -12.819 -3.678 -12.287 1.00 0.00 C ATOM 343 O ASN A 26 -13.066 -4.061 -13.430 1.00 0.00 O ATOM 344 CB ASN A 26 -14.638 -2.766 -10.832 1.00 0.00 C ATOM 345 CG ASN A 26 -15.639 -3.029 -9.723 1.00 0.00 C ATOM 346 OD1 ASN A 26 -16.777 -3.424 -9.980 1.00 0.00 O ATOM 347 ND2 ASN A 26 -15.219 -2.811 -8.483 1.00 0.00 N ATOM 0 H ASN A 26 -12.321 -3.726 -9.642 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.412 -4.818 -11.433 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -13.998 -1.931 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.170 -2.468 -11.735 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -15.848 -2.971 -7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -14.267 -2.484 -8.317 1.00 0.00 H new ATOM 354 N GLU A 27 -11.730 -2.980 -11.976 1.00 0.00 N ATOM 355 CA GLU A 27 -10.742 -2.618 -12.985 1.00 0.00 C ATOM 356 C GLU A 27 -9.597 -3.626 -13.013 1.00 0.00 C ATOM 357 O GLU A 27 -8.951 -3.878 -11.996 1.00 0.00 O ATOM 358 CB GLU A 27 -10.194 -1.215 -12.714 1.00 0.00 C ATOM 359 CG GLU A 27 -11.268 -0.142 -12.661 1.00 0.00 C ATOM 360 CD GLU A 27 -11.633 0.387 -14.034 1.00 0.00 C ATOM 361 OE1 GLU A 27 -11.991 -0.431 -14.908 1.00 0.00 O ATOM 362 OE2 GLU A 27 -11.561 1.617 -14.235 1.00 0.00 O ATOM 0 H GLU A 27 -11.511 -2.655 -11.034 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.234 -2.627 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.652 -1.222 -11.768 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.474 -0.959 -13.491 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.160 -0.549 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.922 0.683 -12.038 1.00 0.00 H new ATOM 369 N LYS A 28 -9.353 -4.202 -14.185 1.00 0.00 N ATOM 370 CA LYS A 28 -8.286 -5.183 -14.348 1.00 0.00 C ATOM 371 C LYS A 28 -6.916 -4.522 -14.237 1.00 0.00 C ATOM 372 O LYS A 28 -6.584 -3.625 -15.012 1.00 0.00 O ATOM 373 CB LYS A 28 -8.416 -5.888 -15.701 1.00 0.00 C ATOM 374 CG LYS A 28 -9.755 -6.575 -15.903 1.00 0.00 C ATOM 375 CD LYS A 28 -9.701 -7.577 -17.044 1.00 0.00 C ATOM 376 CE LYS A 28 -11.051 -7.715 -17.730 1.00 0.00 C ATOM 377 NZ LYS A 28 -10.933 -8.365 -19.064 1.00 0.00 N ATOM 0 H LYS A 28 -9.880 -4.007 -15.036 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.379 -5.920 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.268 -5.158 -16.497 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.620 -6.627 -15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.046 -7.084 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.521 -5.828 -16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.953 -7.262 -17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.385 -8.548 -16.662 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.720 -8.300 -17.099 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.502 -6.729 -17.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.875 -8.440 -19.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.315 -7.794 -19.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.527 -9.316 -18.952 1.00 0.00 H new ATOM 391 N VAL A 29 -6.124 -4.970 -13.268 1.00 0.00 N ATOM 392 CA VAL A 29 -4.789 -4.423 -13.057 1.00 0.00 C ATOM 393 C VAL A 29 -4.030 -4.305 -14.374 1.00 0.00 C ATOM 394 O VAL A 29 -3.806 -5.299 -15.064 1.00 0.00 O ATOM 395 CB VAL A 29 -3.974 -5.294 -12.083 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.507 -5.151 -10.665 1.00 0.00 C ATOM 397 CG2 VAL A 29 -3.993 -6.749 -12.525 1.00 0.00 C ATOM 0 H VAL A 29 -6.384 -5.711 -12.617 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.917 -3.431 -12.625 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.940 -4.949 -12.093 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.919 -5.774 -9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.435 -4.109 -10.353 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.550 -5.468 -10.635 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.412 -7.350 -11.825 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.021 -7.110 -12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.559 -6.832 -13.521 1.00 0.00 H new ATOM 407 N ASN A 30 -3.635 -3.083 -14.715 1.00 0.00 N ATOM 408 CA ASN A 30 -2.899 -2.834 -15.950 1.00 0.00 C ATOM 409 C ASN A 30 -1.586 -2.113 -15.664 1.00 0.00 C ATOM 410 O ASN A 30 -0.996 -1.500 -16.554 1.00 0.00 O ATOM 411 CB ASN A 30 -3.749 -2.007 -16.916 1.00 0.00 C ATOM 412 CG ASN A 30 -3.693 -0.522 -16.610 1.00 0.00 C ATOM 413 OD1 ASN A 30 -2.871 0.206 -17.166 1.00 0.00 O ATOM 414 ND2 ASN A 30 -4.569 -0.068 -15.722 1.00 0.00 N ATOM 0 H ASN A 30 -3.812 -2.250 -14.154 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.672 -3.796 -16.409 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.405 -2.178 -17.936 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.784 -2.346 -16.867 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.579 0.922 -15.475 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.232 -0.709 -15.286 1.00 0.00 H new ATOM 421 N MET A 31 -1.133 -2.191 -14.417 1.00 0.00 N ATOM 422 CA MET A 31 0.112 -1.547 -14.015 1.00 0.00 C ATOM 423 C MET A 31 0.871 -2.410 -13.012 1.00 0.00 C ATOM 424 O MET A 31 0.319 -3.355 -12.449 1.00 0.00 O ATOM 425 CB MET A 31 -0.173 -0.171 -13.409 1.00 0.00 C ATOM 426 CG MET A 31 -0.176 0.954 -14.431 1.00 0.00 C ATOM 427 SD MET A 31 -0.588 2.552 -13.704 1.00 0.00 S ATOM 428 CE MET A 31 -2.347 2.355 -13.429 1.00 0.00 C ATOM 0 H MET A 31 -1.609 -2.693 -13.668 1.00 0.00 H new ATOM 0 HA MET A 31 0.731 -1.423 -14.903 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.140 -0.197 -12.907 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.576 0.044 -12.647 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.806 1.015 -14.901 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.893 0.722 -15.219 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.895 3.046 -14.070 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.640 1.332 -13.664 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.578 2.567 -12.385 1.00 0.00 H new ATOM 438 N TYR A 32 2.139 -2.079 -12.794 1.00 0.00 N ATOM 439 CA TYR A 32 2.974 -2.825 -11.861 1.00 0.00 C ATOM 440 C TYR A 32 3.742 -1.881 -10.941 1.00 0.00 C ATOM 441 O TYR A 32 4.759 -1.306 -11.330 1.00 0.00 O ATOM 442 CB TYR A 32 3.953 -3.720 -12.623 1.00 0.00 C ATOM 443 CG TYR A 32 5.102 -4.219 -11.777 1.00 0.00 C ATOM 444 CD1 TYR A 32 4.870 -4.909 -10.593 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.420 -4.000 -12.160 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.917 -5.366 -9.816 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.472 -4.455 -11.390 1.00 0.00 C ATOM 448 CZ TYR A 32 7.216 -5.137 -10.219 1.00 0.00 C ATOM 449 OH TYR A 32 8.263 -5.591 -9.449 1.00 0.00 O ATOM 0 H TYR A 32 2.611 -1.299 -13.251 1.00 0.00 H new ATOM 0 HA TYR A 32 2.322 -3.449 -11.249 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.411 -4.576 -13.026 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.352 -3.166 -13.473 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.854 -5.091 -10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.625 -3.465 -13.075 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.719 -5.900 -8.898 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.490 -4.278 -11.703 1.00 0.00 H new ATOM 0 HH TYR A 32 9.112 -5.348 -9.875 1.00 0.00 H new ATOM 459 N CYS A 33 3.247 -1.726 -9.717 1.00 0.00 N ATOM 460 CA CYS A 33 3.885 -0.852 -8.739 1.00 0.00 C ATOM 461 C CYS A 33 5.205 -1.447 -8.257 1.00 0.00 C ATOM 462 O CYS A 33 5.222 -2.362 -7.434 1.00 0.00 O ATOM 463 CB CYS A 33 2.953 -0.619 -7.549 1.00 0.00 C ATOM 464 SG CYS A 33 3.582 0.587 -6.337 1.00 0.00 S ATOM 0 H CYS A 33 2.406 -2.194 -9.379 1.00 0.00 H new ATOM 0 HA CYS A 33 4.092 0.103 -9.222 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.987 -0.276 -7.919 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.781 -1.570 -7.044 1.00 0.00 H new ATOM 469 N VAL A 34 6.309 -0.919 -8.776 1.00 0.00 N ATOM 470 CA VAL A 34 7.634 -1.396 -8.398 1.00 0.00 C ATOM 471 C VAL A 34 7.904 -1.153 -6.917 1.00 0.00 C ATOM 472 O VAL A 34 8.443 -2.016 -6.224 1.00 0.00 O ATOM 473 CB VAL A 34 8.735 -0.711 -9.229 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.059 -1.443 -9.068 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.331 -0.640 -10.693 1.00 0.00 C ATOM 0 H VAL A 34 6.312 -0.161 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 34 7.653 -2.468 -8.596 1.00 0.00 H new ATOM 0 HB VAL A 34 8.863 0.307 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.825 -0.945 -9.662 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.353 -1.437 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.949 -2.473 -9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.121 -0.153 -11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.174 -1.648 -11.076 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.408 -0.068 -10.788 1.00 0.00 H new ATOM 485 N SER A 35 7.527 0.029 -6.439 1.00 0.00 N ATOM 486 CA SER A 35 7.731 0.388 -5.040 1.00 0.00 C ATOM 487 C SER A 35 7.361 -0.773 -4.122 1.00 0.00 C ATOM 488 O SER A 35 8.175 -1.224 -3.316 1.00 0.00 O ATOM 489 CB SER A 35 6.900 1.621 -4.682 1.00 0.00 C ATOM 490 OG SER A 35 7.206 2.081 -3.377 1.00 0.00 O ATOM 0 H SER A 35 7.079 0.754 -7.000 1.00 0.00 H new ATOM 0 HA SER A 35 8.787 0.617 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.091 2.414 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.839 1.380 -4.746 1.00 0.00 H new ATOM 0 HG SER A 35 6.663 2.871 -3.173 1.00 0.00 H new ATOM 496 N ASP A 36 6.129 -1.251 -4.250 1.00 0.00 N ATOM 497 CA ASP A 36 5.650 -2.360 -3.433 1.00 0.00 C ATOM 498 C ASP A 36 5.603 -3.652 -4.243 1.00 0.00 C ATOM 499 O ASP A 36 4.925 -4.608 -3.867 1.00 0.00 O ATOM 500 CB ASP A 36 4.262 -2.045 -2.871 1.00 0.00 C ATOM 501 CG ASP A 36 4.060 -0.563 -2.623 1.00 0.00 C ATOM 502 OD1 ASP A 36 4.441 -0.088 -1.533 1.00 0.00 O ATOM 503 OD2 ASP A 36 3.521 0.120 -3.518 1.00 0.00 O ATOM 0 H ASP A 36 5.443 -0.888 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 36 6.346 -2.496 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.502 -2.401 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.119 -2.589 -1.938 1.00 0.00 H new ATOM 508 N ASP A 37 6.327 -3.672 -5.357 1.00 0.00 N ATOM 509 CA ASP A 37 6.369 -4.846 -6.221 1.00 0.00 C ATOM 510 C ASP A 37 5.012 -5.541 -6.258 1.00 0.00 C ATOM 511 O ASP A 37 4.926 -6.762 -6.127 1.00 0.00 O ATOM 512 CB ASP A 37 7.443 -5.822 -5.739 1.00 0.00 C ATOM 513 CG ASP A 37 7.481 -5.942 -4.228 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.167 -5.120 -3.586 1.00 0.00 O ATOM 515 OD2 ASP A 37 6.826 -6.858 -3.689 1.00 0.00 O ATOM 0 H ASP A 37 6.893 -2.888 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 37 6.616 -4.516 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.259 -6.804 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.417 -5.492 -6.099 1.00 0.00 H new ATOM 520 N GLN A 38 3.954 -4.756 -6.435 1.00 0.00 N ATOM 521 CA GLN A 38 2.601 -5.297 -6.487 1.00 0.00 C ATOM 522 C GLN A 38 1.838 -4.740 -7.684 1.00 0.00 C ATOM 523 O GLN A 38 2.037 -3.591 -8.081 1.00 0.00 O ATOM 524 CB GLN A 38 1.851 -4.976 -5.194 1.00 0.00 C ATOM 525 CG GLN A 38 0.576 -5.785 -5.013 1.00 0.00 C ATOM 526 CD GLN A 38 0.206 -5.972 -3.555 1.00 0.00 C ATOM 527 OE1 GLN A 38 -0.169 -5.019 -2.870 1.00 0.00 O ATOM 528 NE2 GLN A 38 0.309 -7.204 -3.071 1.00 0.00 N ATOM 0 H GLN A 38 4.008 -3.743 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 38 2.673 -6.379 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.511 -5.159 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.603 -3.915 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.243 -5.286 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.700 -6.762 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.624 -7.964 -3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.073 -7.390 -2.096 1.00 0.00 H new ATOM 537 N LEU A 39 0.964 -5.560 -8.256 1.00 0.00 N ATOM 538 CA LEU A 39 0.170 -5.150 -9.409 1.00 0.00 C ATOM 539 C LEU A 39 -1.033 -4.319 -8.974 1.00 0.00 C ATOM 540 O LEU A 39 -1.640 -4.584 -7.935 1.00 0.00 O ATOM 541 CB LEU A 39 -0.300 -6.376 -10.193 1.00 0.00 C ATOM 542 CG LEU A 39 0.796 -7.339 -10.653 1.00 0.00 C ATOM 543 CD1 LEU A 39 0.196 -8.677 -11.055 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.585 -6.737 -11.806 1.00 0.00 C ATOM 0 H LEU A 39 0.787 -6.514 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 39 0.800 -4.535 -10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.006 -6.930 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.847 -6.033 -11.071 1.00 0.00 H new ATOM 0 HG LEU A 39 1.479 -7.507 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.990 -9.349 -11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.323 -9.114 -10.202 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.510 -8.528 -11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.360 -7.436 -12.120 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.914 -6.539 -12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.047 -5.804 -11.483 1.00 0.00 H new ATOM 556 N ILE A 40 -1.374 -3.316 -9.775 1.00 0.00 N ATOM 557 CA ILE A 40 -2.507 -2.449 -9.474 1.00 0.00 C ATOM 558 C ILE A 40 -3.245 -2.047 -10.746 1.00 0.00 C ATOM 559 O ILE A 40 -2.798 -2.339 -11.855 1.00 0.00 O ATOM 560 CB ILE A 40 -2.060 -1.177 -8.729 1.00 0.00 C ATOM 561 CG1 ILE A 40 -1.047 -0.397 -9.570 1.00 0.00 C ATOM 562 CG2 ILE A 40 -1.468 -1.536 -7.375 1.00 0.00 C ATOM 563 CD1 ILE A 40 -1.029 1.086 -9.272 1.00 0.00 C ATOM 0 H ILE A 40 -0.882 -3.083 -10.638 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.179 -3.019 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.932 -0.544 -8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.052 -0.806 -9.397 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.273 -0.545 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.157 -0.626 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.217 -2.053 -6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.605 -2.186 -7.516 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.288 1.575 -9.904 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.013 1.509 -9.472 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.773 1.244 -8.224 1.00 0.00 H new ATOM 575 N CYS A 41 -4.379 -1.374 -10.578 1.00 0.00 N ATOM 576 CA CYS A 41 -5.180 -0.929 -11.712 1.00 0.00 C ATOM 577 C CYS A 41 -5.067 0.581 -11.899 1.00 0.00 C ATOM 578 O CYS A 41 -4.290 1.245 -11.214 1.00 0.00 O ATOM 579 CB CYS A 41 -6.645 -1.322 -11.513 1.00 0.00 C ATOM 580 SG CYS A 41 -7.484 -0.410 -10.178 1.00 0.00 S ATOM 0 H CYS A 41 -4.764 -1.125 -9.667 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.798 -1.417 -12.609 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.184 -1.157 -12.446 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.698 -2.389 -11.298 1.00 0.00 H new ATOM 585 N ALA A 42 -5.849 1.116 -12.831 1.00 0.00 N ATOM 586 CA ALA A 42 -5.839 2.547 -13.107 1.00 0.00 C ATOM 587 C ALA A 42 -6.291 3.344 -11.888 1.00 0.00 C ATOM 588 O ALA A 42 -5.573 4.220 -11.405 1.00 0.00 O ATOM 589 CB ALA A 42 -6.726 2.860 -14.303 1.00 0.00 C ATOM 0 H ALA A 42 -6.497 0.580 -13.408 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.815 2.840 -13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.709 3.932 -14.498 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.357 2.326 -15.179 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.748 2.546 -14.090 1.00 0.00 H new ATOM 595 N LEU A 43 -7.486 3.036 -11.396 1.00 0.00 N ATOM 596 CA LEU A 43 -8.035 3.724 -10.232 1.00 0.00 C ATOM 597 C LEU A 43 -6.972 3.900 -9.152 1.00 0.00 C ATOM 598 O LEU A 43 -6.905 4.939 -8.495 1.00 0.00 O ATOM 599 CB LEU A 43 -9.227 2.947 -9.670 1.00 0.00 C ATOM 600 CG LEU A 43 -10.589 3.273 -10.283 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.652 2.320 -9.759 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.974 4.716 -9.991 1.00 0.00 C ATOM 0 H LEU A 43 -8.093 2.315 -11.785 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.371 4.711 -10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.036 1.882 -9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.281 3.129 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.519 3.148 -11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.615 2.567 -10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.383 1.296 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.721 2.412 -8.675 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.946 4.930 -10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.026 4.868 -8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.226 5.385 -10.416 1.00 0.00 H new ATOM 614 N CYS A 44 -6.143 2.877 -8.974 1.00 0.00 N ATOM 615 CA CYS A 44 -5.082 2.917 -7.975 1.00 0.00 C ATOM 616 C CYS A 44 -4.164 4.115 -8.204 1.00 0.00 C ATOM 617 O CYS A 44 -3.985 4.953 -7.320 1.00 0.00 O ATOM 618 CB CYS A 44 -4.268 1.622 -8.013 1.00 0.00 C ATOM 619 SG CYS A 44 -5.088 0.206 -7.213 1.00 0.00 S ATOM 0 H CYS A 44 -6.186 2.010 -9.509 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.545 3.019 -6.993 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.058 1.367 -9.052 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.308 1.794 -7.527 1.00 0.00 H new ATOM 624 N LYS A 45 -3.584 4.189 -9.397 1.00 0.00 N ATOM 625 CA LYS A 45 -2.686 5.283 -9.746 1.00 0.00 C ATOM 626 C LYS A 45 -3.447 6.600 -9.848 1.00 0.00 C ATOM 627 O LYS A 45 -2.970 7.642 -9.397 1.00 0.00 O ATOM 628 CB LYS A 45 -1.977 4.987 -11.069 1.00 0.00 C ATOM 629 CG LYS A 45 -1.088 6.121 -11.550 1.00 0.00 C ATOM 630 CD LYS A 45 0.192 6.209 -10.736 1.00 0.00 C ATOM 631 CE LYS A 45 1.287 6.942 -11.496 1.00 0.00 C ATOM 632 NZ LYS A 45 1.188 8.418 -11.325 1.00 0.00 N ATOM 0 H LYS A 45 -3.720 3.503 -10.139 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.941 5.374 -8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.373 4.087 -10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.725 4.774 -11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.842 5.971 -12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.630 7.064 -11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.008 6.724 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.533 5.205 -10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.262 6.601 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.222 6.694 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.048 8.869 -11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.359 8.773 -11.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.088 8.645 -10.315 1.00 0.00 H new ATOM 646 N LEU A 46 -4.634 6.548 -10.443 1.00 0.00 N ATOM 647 CA LEU A 46 -5.463 7.737 -10.604 1.00 0.00 C ATOM 648 C LEU A 46 -5.631 8.467 -9.275 1.00 0.00 C ATOM 649 O LEU A 46 -5.199 9.610 -9.124 1.00 0.00 O ATOM 650 CB LEU A 46 -6.834 7.355 -11.166 1.00 0.00 C ATOM 651 CG LEU A 46 -6.939 7.286 -12.690 1.00 0.00 C ATOM 652 CD1 LEU A 46 -6.493 8.599 -13.315 1.00 0.00 C ATOM 653 CD2 LEU A 46 -6.112 6.128 -13.229 1.00 0.00 C ATOM 0 H LEU A 46 -5.044 5.694 -10.822 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.964 8.406 -11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.114 6.384 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.567 8.076 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.982 7.116 -12.957 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.574 8.532 -14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.127 9.408 -12.953 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.457 8.799 -13.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.198 6.094 -14.315 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.067 6.267 -12.952 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.478 5.192 -12.806 1.00 0.00 H new ATOM 665 N VAL A 47 -6.259 7.798 -8.313 1.00 0.00 N ATOM 666 CA VAL A 47 -6.481 8.382 -6.996 1.00 0.00 C ATOM 667 C VAL A 47 -5.857 7.522 -5.902 1.00 0.00 C ATOM 668 O VAL A 47 -5.326 8.038 -4.919 1.00 0.00 O ATOM 669 CB VAL A 47 -7.984 8.553 -6.704 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.607 9.541 -7.678 1.00 0.00 C ATOM 671 CG2 VAL A 47 -8.695 7.210 -6.766 1.00 0.00 C ATOM 0 H VAL A 47 -6.623 6.851 -8.421 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.005 9.363 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.098 8.952 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.669 9.649 -7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.115 10.509 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.484 9.174 -8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.756 7.350 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.574 6.780 -7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.265 6.536 -6.025 1.00 0.00 H new ATOM 681 N GLY A 48 -5.925 6.206 -6.080 1.00 0.00 N ATOM 682 CA GLY A 48 -5.363 5.295 -5.100 1.00 0.00 C ATOM 683 C GLY A 48 -4.074 5.817 -4.496 1.00 0.00 C ATOM 684 O GLY A 48 -3.388 6.643 -5.098 1.00 0.00 O ATOM 0 H GLY A 48 -6.359 5.755 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.091 5.126 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.175 4.330 -5.571 1.00 0.00 H new ATOM 688 N ARG A 49 -3.745 5.336 -3.301 1.00 0.00 N ATOM 689 CA ARG A 49 -2.532 5.762 -2.614 1.00 0.00 C ATOM 690 C ARG A 49 -1.327 5.697 -3.547 1.00 0.00 C ATOM 691 O ARG A 49 -0.299 6.326 -3.295 1.00 0.00 O ATOM 692 CB ARG A 49 -2.285 4.889 -1.382 1.00 0.00 C ATOM 693 CG ARG A 49 -3.192 5.219 -0.209 1.00 0.00 C ATOM 694 CD ARG A 49 -2.968 4.266 0.955 1.00 0.00 C ATOM 695 NE ARG A 49 -1.853 4.686 1.799 1.00 0.00 N ATOM 696 CZ ARG A 49 -1.717 4.324 3.070 1.00 0.00 C ATOM 697 NH1 ARG A 49 -2.621 3.539 3.640 1.00 0.00 N ATOM 698 NH2 ARG A 49 -0.675 4.747 3.774 1.00 0.00 N ATOM 0 H ARG A 49 -4.302 4.651 -2.789 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.668 6.796 -2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.424 3.843 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.247 5.001 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.009 6.243 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.233 5.168 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.876 4.208 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.775 3.264 0.571 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.140 5.290 1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.424 3.211 3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.514 3.263 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.023 5.351 3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.572 4.468 4.750 1.00 0.00 H new ATOM 712 N HIS A 50 -1.461 4.932 -4.626 1.00 0.00 N ATOM 713 CA HIS A 50 -0.383 4.785 -5.598 1.00 0.00 C ATOM 714 C HIS A 50 -0.398 5.932 -6.604 1.00 0.00 C ATOM 715 O HIS A 50 -0.126 5.735 -7.788 1.00 0.00 O ATOM 716 CB HIS A 50 -0.507 3.448 -6.329 1.00 0.00 C ATOM 717 CG HIS A 50 -0.738 2.284 -5.415 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.286 1.523 -4.892 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.885 1.754 -4.930 1.00 0.00 C ATOM 720 CE1 HIS A 50 -0.221 0.574 -4.126 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.536 0.692 -4.132 1.00 0.00 N ATOM 0 H HIS A 50 -2.305 4.405 -4.849 1.00 0.00 H new ATOM 0 HA HIS A 50 0.565 4.810 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.329 3.508 -7.042 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.402 3.272 -6.905 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.887 2.101 -5.133 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.344 -0.172 -3.586 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.187 0.092 -3.626 1.00 0.00 H new ATOM 729 N ARG A 51 -0.719 7.129 -6.124 1.00 0.00 N ATOM 730 CA ARG A 51 -0.771 8.307 -6.982 1.00 0.00 C ATOM 731 C ARG A 51 0.633 8.746 -7.388 1.00 0.00 C ATOM 732 O ARG A 51 0.891 9.029 -8.558 1.00 0.00 O ATOM 733 CB ARG A 51 -1.489 9.453 -6.267 1.00 0.00 C ATOM 734 CG ARG A 51 -2.989 9.477 -6.509 1.00 0.00 C ATOM 735 CD ARG A 51 -3.571 10.861 -6.265 1.00 0.00 C ATOM 736 NE ARG A 51 -3.997 11.040 -4.880 1.00 0.00 N ATOM 737 CZ ARG A 51 -4.106 12.226 -4.292 1.00 0.00 C ATOM 738 NH1 ARG A 51 -3.823 13.332 -4.965 1.00 0.00 N ATOM 739 NH2 ARG A 51 -4.501 12.307 -3.028 1.00 0.00 N ATOM 0 H ARG A 51 -0.947 7.309 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.326 8.046 -7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.304 9.375 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.061 10.400 -6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.198 9.169 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.476 8.756 -5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.826 11.617 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.421 11.019 -6.929 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.223 10.209 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.521 13.274 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.908 14.241 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.721 11.458 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.584 13.218 -2.577 1.00 0.00 H new ATOM 753 N ASP A 52 1.534 8.802 -6.414 1.00 0.00 N ATOM 754 CA ASP A 52 2.912 9.207 -6.670 1.00 0.00 C ATOM 755 C ASP A 52 3.868 8.035 -6.472 1.00 0.00 C ATOM 756 O ASP A 52 4.827 8.125 -5.705 1.00 0.00 O ATOM 757 CB ASP A 52 3.306 10.363 -5.750 1.00 0.00 C ATOM 758 CG ASP A 52 3.354 9.952 -4.292 1.00 0.00 C ATOM 759 OD1 ASP A 52 2.434 9.235 -3.847 1.00 0.00 O ATOM 760 OD2 ASP A 52 4.312 10.348 -3.595 1.00 0.00 O ATOM 0 H ASP A 52 1.336 8.572 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 52 2.981 9.538 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.282 10.745 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.594 11.179 -5.871 1.00 0.00 H new ATOM 765 N HIS A 53 3.600 6.935 -7.169 1.00 0.00 N ATOM 766 CA HIS A 53 4.436 5.744 -7.069 1.00 0.00 C ATOM 767 C HIS A 53 5.203 5.509 -8.367 1.00 0.00 C ATOM 768 O HIS A 53 4.931 6.147 -9.384 1.00 0.00 O ATOM 769 CB HIS A 53 3.581 4.520 -6.740 1.00 0.00 C ATOM 770 CG HIS A 53 3.080 4.502 -5.328 1.00 0.00 C ATOM 771 ND1 HIS A 53 2.784 3.339 -4.650 1.00 0.00 N ATOM 772 CD2 HIS A 53 2.826 5.514 -4.466 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.367 3.636 -3.432 1.00 0.00 C ATOM 774 NE2 HIS A 53 2.384 4.949 -3.295 1.00 0.00 N ATOM 0 H HIS A 53 2.811 6.844 -7.809 1.00 0.00 H new ATOM 0 HA HIS A 53 5.155 5.902 -6.265 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.729 4.488 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.167 3.619 -6.921 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.948 6.569 -4.662 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.064 2.926 -2.677 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.113 5.461 -2.455 1.00 0.00 H new ATOM 782 N GLN A 54 6.162 4.590 -8.324 1.00 0.00 N ATOM 783 CA GLN A 54 6.969 4.272 -9.496 1.00 0.00 C ATOM 784 C GLN A 54 6.309 3.181 -10.332 1.00 0.00 C ATOM 785 O GLN A 54 6.979 2.279 -10.836 1.00 0.00 O ATOM 786 CB GLN A 54 8.370 3.829 -9.073 1.00 0.00 C ATOM 787 CG GLN A 54 8.369 2.740 -8.012 1.00 0.00 C ATOM 788 CD GLN A 54 9.764 2.241 -7.686 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.555 1.947 -8.582 1.00 0.00 O ATOM 790 NE2 GLN A 54 10.072 2.144 -6.398 1.00 0.00 N ATOM 0 H GLN A 54 6.399 4.052 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 54 7.049 5.173 -10.105 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.909 3.470 -9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.917 4.693 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.903 3.123 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.759 1.904 -8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.385 2.399 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.996 1.815 -6.118 1.00 0.00 H new ATOM 799 N VAL A 55 4.990 3.268 -10.475 1.00 0.00 N ATOM 800 CA VAL A 55 4.239 2.288 -11.251 1.00 0.00 C ATOM 801 C VAL A 55 4.760 2.202 -12.681 1.00 0.00 C ATOM 802 O VAL A 55 5.324 3.162 -13.205 1.00 0.00 O ATOM 803 CB VAL A 55 2.737 2.630 -11.283 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.178 2.715 -9.871 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.504 3.931 -12.037 1.00 0.00 C ATOM 0 H VAL A 55 4.420 4.007 -10.064 1.00 0.00 H new ATOM 0 HA VAL A 55 4.375 1.324 -10.760 1.00 0.00 H new ATOM 0 HB VAL A 55 2.211 1.833 -11.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.116 2.957 -9.914 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.311 1.757 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.705 3.492 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.438 4.158 -12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.041 4.740 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.866 3.828 -13.060 1.00 0.00 H new ATOM 815 N ALA A 56 4.567 1.046 -13.307 1.00 0.00 N ATOM 816 CA ALA A 56 5.015 0.835 -14.677 1.00 0.00 C ATOM 817 C ALA A 56 3.982 0.049 -15.478 1.00 0.00 C ATOM 818 O ALA A 56 3.710 -1.115 -15.185 1.00 0.00 O ATOM 819 CB ALA A 56 6.355 0.114 -14.689 1.00 0.00 C ATOM 0 H ALA A 56 4.103 0.241 -12.886 1.00 0.00 H new ATOM 0 HA ALA A 56 5.135 1.811 -15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.678 -0.037 -15.719 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.096 0.714 -14.161 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.253 -0.852 -14.195 1.00 0.00 H new ATOM 825 N SER A 57 3.410 0.694 -16.490 1.00 0.00 N ATOM 826 CA SER A 57 2.403 0.056 -17.331 1.00 0.00 C ATOM 827 C SER A 57 2.797 -1.382 -17.654 1.00 0.00 C ATOM 828 O SER A 57 3.963 -1.761 -17.535 1.00 0.00 O ATOM 829 CB SER A 57 2.214 0.849 -18.626 1.00 0.00 C ATOM 830 OG SER A 57 1.723 2.151 -18.359 1.00 0.00 O ATOM 0 H SER A 57 3.626 1.657 -16.747 1.00 0.00 H new ATOM 0 HA SER A 57 1.462 0.041 -16.782 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.164 0.917 -19.157 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.520 0.322 -19.281 1.00 0.00 H new ATOM 0 HG SER A 57 1.612 2.638 -19.202 1.00 0.00 H new ATOM 836 N LEU A 58 1.817 -2.179 -18.065 1.00 0.00 N ATOM 837 CA LEU A 58 2.059 -3.576 -18.406 1.00 0.00 C ATOM 838 C LEU A 58 1.754 -3.838 -19.878 1.00 0.00 C ATOM 839 O LEU A 58 0.607 -3.739 -20.311 1.00 0.00 O ATOM 840 CB LEU A 58 1.206 -4.492 -17.526 1.00 0.00 C ATOM 841 CG LEU A 58 1.620 -4.587 -16.057 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.443 -5.023 -15.199 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.788 -5.548 -15.893 1.00 0.00 C ATOM 0 H LEU A 58 0.847 -1.881 -18.170 1.00 0.00 H new ATOM 0 HA LEU A 58 3.113 -3.790 -18.228 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.173 -4.146 -17.570 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.225 -5.494 -17.954 1.00 0.00 H new ATOM 0 HG LEU A 58 1.940 -3.599 -15.724 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.756 -5.085 -14.157 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.364 -4.297 -15.293 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.092 -6.000 -15.532 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.069 -5.603 -14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.496 -6.538 -16.243 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.637 -5.192 -16.477 1.00 0.00 H new ATOM 855 N ASN A 59 2.789 -4.174 -20.640 1.00 0.00 N ATOM 856 CA ASN A 59 2.632 -4.452 -22.063 1.00 0.00 C ATOM 857 C ASN A 59 1.487 -5.432 -22.303 1.00 0.00 C ATOM 858 O ASN A 59 1.239 -6.322 -21.490 1.00 0.00 O ATOM 859 CB ASN A 59 3.931 -5.017 -22.641 1.00 0.00 C ATOM 860 CG ASN A 59 5.084 -4.036 -22.538 1.00 0.00 C ATOM 861 OD1 ASN A 59 4.881 -2.822 -22.529 1.00 0.00 O ATOM 862 ND2 ASN A 59 6.301 -4.561 -22.461 1.00 0.00 N ATOM 0 H ASN A 59 3.745 -4.260 -20.296 1.00 0.00 H new ATOM 0 HA ASN A 59 2.396 -3.514 -22.566 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.191 -5.935 -22.115 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.775 -5.282 -23.687 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.116 -3.951 -22.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.421 -5.574 -22.472 1.00 0.00 H new ATOM 869 N ASP A 60 0.795 -5.262 -23.424 1.00 0.00 N ATOM 870 CA ASP A 60 -0.322 -6.132 -23.772 1.00 0.00 C ATOM 871 C ASP A 60 -0.004 -6.951 -25.019 1.00 0.00 C ATOM 872 O ASP A 60 -0.374 -6.575 -26.132 1.00 0.00 O ATOM 873 CB ASP A 60 -1.589 -5.306 -23.998 1.00 0.00 C ATOM 874 CG ASP A 60 -2.364 -5.071 -22.717 1.00 0.00 C ATOM 875 OD1 ASP A 60 -2.258 -5.910 -21.797 1.00 0.00 O ATOM 876 OD2 ASP A 60 -3.076 -4.049 -22.633 1.00 0.00 O ATOM 0 H ASP A 60 0.988 -4.530 -24.107 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.489 -6.818 -22.941 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.319 -4.346 -24.437 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.229 -5.817 -24.717 1.00 0.00 H new ATOM 881 N ARG A 61 0.683 -8.072 -24.826 1.00 0.00 N ATOM 882 CA ARG A 61 1.053 -8.943 -25.935 1.00 0.00 C ATOM 883 C ARG A 61 1.416 -10.337 -25.434 1.00 0.00 C ATOM 884 O ARG A 61 2.443 -10.526 -24.781 1.00 0.00 O ATOM 885 CB ARG A 61 2.228 -8.346 -26.711 1.00 0.00 C ATOM 886 CG ARG A 61 2.263 -8.754 -28.174 1.00 0.00 C ATOM 887 CD ARG A 61 2.676 -10.209 -28.337 1.00 0.00 C ATOM 888 NE ARG A 61 2.599 -10.648 -29.728 1.00 0.00 N ATOM 889 CZ ARG A 61 1.479 -11.074 -30.303 1.00 0.00 C ATOM 890 NH1 ARG A 61 0.350 -11.118 -29.610 1.00 0.00 N ATOM 891 NH2 ARG A 61 1.489 -11.457 -31.573 1.00 0.00 N ATOM 0 H ARG A 61 0.995 -8.399 -23.911 1.00 0.00 H new ATOM 0 HA ARG A 61 0.193 -9.027 -26.600 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.180 -7.259 -26.647 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.160 -8.652 -26.235 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.280 -8.602 -28.619 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.960 -8.114 -28.715 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.695 -10.340 -27.972 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.033 -10.839 -27.722 1.00 0.00 H new ATOM 0 HE ARG A 61 3.451 -10.626 -30.288 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.339 -10.825 -28.633 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.508 -11.445 -30.054 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.356 -11.425 -32.109 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.629 -11.784 -32.014 1.00 0.00 H new ATOM 905 N PHE A 62 0.567 -11.312 -25.743 1.00 0.00 N ATOM 906 CA PHE A 62 0.797 -12.689 -25.322 1.00 0.00 C ATOM 907 C PHE A 62 1.470 -13.491 -26.433 1.00 0.00 C ATOM 908 O PHE A 62 1.587 -13.024 -27.565 1.00 0.00 O ATOM 909 CB PHE A 62 -0.524 -13.352 -24.927 1.00 0.00 C ATOM 910 CG PHE A 62 -1.638 -13.097 -25.902 1.00 0.00 C ATOM 911 CD1 PHE A 62 -1.521 -13.490 -27.225 1.00 0.00 C ATOM 912 CD2 PHE A 62 -2.802 -12.466 -25.494 1.00 0.00 C ATOM 913 CE1 PHE A 62 -2.544 -13.256 -28.124 1.00 0.00 C ATOM 914 CE2 PHE A 62 -3.828 -12.230 -26.389 1.00 0.00 C ATOM 915 CZ PHE A 62 -3.700 -12.627 -27.706 1.00 0.00 C ATOM 0 H PHE A 62 -0.287 -11.174 -26.284 1.00 0.00 H new ATOM 0 HA PHE A 62 1.459 -12.673 -24.456 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.369 -14.427 -24.838 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.823 -12.990 -23.943 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.620 -13.985 -27.558 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.909 -12.155 -24.465 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.439 -13.565 -29.154 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.730 -11.735 -26.059 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.502 -12.446 -28.407 1.00 0.00 H new ATOM 925 N GLU A 63 1.908 -14.700 -26.098 1.00 0.00 N ATOM 926 CA GLU A 63 2.570 -15.567 -27.067 1.00 0.00 C ATOM 927 C GLU A 63 2.225 -17.031 -26.812 1.00 0.00 C ATOM 928 O GLU A 63 1.840 -17.407 -25.704 1.00 0.00 O ATOM 929 CB GLU A 63 4.086 -15.371 -27.007 1.00 0.00 C ATOM 930 CG GLU A 63 4.578 -14.177 -27.807 1.00 0.00 C ATOM 931 CD GLU A 63 4.183 -14.252 -29.269 1.00 0.00 C ATOM 932 OE1 GLU A 63 4.947 -14.843 -30.060 1.00 0.00 O ATOM 933 OE2 GLU A 63 3.110 -13.719 -29.623 1.00 0.00 O ATOM 0 H GLU A 63 1.817 -15.102 -25.165 1.00 0.00 H new ATOM 0 HA GLU A 63 2.215 -15.296 -28.061 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.387 -15.249 -25.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.575 -16.272 -27.377 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.175 -13.262 -27.372 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.664 -14.115 -27.730 1.00 0.00 H new ATOM 940 N LYS A 64 2.364 -17.855 -27.845 1.00 0.00 N ATOM 941 CA LYS A 64 2.068 -19.278 -27.736 1.00 0.00 C ATOM 942 C LYS A 64 0.893 -19.519 -26.794 1.00 0.00 C ATOM 943 O LYS A 64 0.908 -20.453 -25.991 1.00 0.00 O ATOM 944 CB LYS A 64 3.299 -20.039 -27.237 1.00 0.00 C ATOM 945 CG LYS A 64 3.288 -21.515 -27.594 1.00 0.00 C ATOM 946 CD LYS A 64 3.838 -21.756 -28.989 1.00 0.00 C ATOM 947 CE LYS A 64 3.398 -23.105 -29.537 1.00 0.00 C ATOM 948 NZ LYS A 64 1.919 -23.186 -29.688 1.00 0.00 N ATOM 0 H LYS A 64 2.680 -17.561 -28.769 1.00 0.00 H new ATOM 0 HA LYS A 64 1.798 -19.644 -28.727 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.194 -19.579 -27.656 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.365 -19.936 -26.154 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.881 -22.070 -26.867 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.269 -21.897 -27.533 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.500 -20.963 -29.656 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.927 -21.710 -28.965 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.872 -23.276 -30.504 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.739 -23.897 -28.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.681 -23.912 -30.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.490 -23.438 -28.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.551 -22.265 -30.001 1.00 0.00 H new ATOM 962 N LEU A 65 -0.125 -18.671 -26.897 1.00 0.00 N ATOM 963 CA LEU A 65 -1.310 -18.793 -26.056 1.00 0.00 C ATOM 964 C LEU A 65 -2.583 -18.716 -26.893 1.00 0.00 C ATOM 965 O LEU A 65 -2.558 -18.274 -28.042 1.00 0.00 O ATOM 966 CB LEU A 65 -1.319 -17.694 -24.992 1.00 0.00 C ATOM 967 CG LEU A 65 -2.129 -17.989 -23.729 1.00 0.00 C ATOM 968 CD1 LEU A 65 -1.658 -19.282 -23.082 1.00 0.00 C ATOM 969 CD2 LEU A 65 -2.026 -16.831 -22.747 1.00 0.00 C ATOM 0 H LEU A 65 -0.153 -17.892 -27.555 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.278 -19.766 -25.565 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.289 -17.491 -24.700 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.708 -16.782 -25.444 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.175 -18.108 -24.011 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.246 -19.475 -22.185 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.784 -20.107 -23.783 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.605 -19.192 -22.813 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.608 -17.058 -21.854 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.982 -16.680 -22.471 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.413 -15.924 -23.212 1.00 0.00 H new ATOM 981 N LYS A 66 -3.696 -19.148 -26.309 1.00 0.00 N ATOM 982 CA LYS A 66 -4.980 -19.125 -26.999 1.00 0.00 C ATOM 983 C LYS A 66 -6.070 -18.548 -26.101 1.00 0.00 C ATOM 984 O LYS A 66 -6.397 -19.119 -25.061 1.00 0.00 O ATOM 985 CB LYS A 66 -5.368 -20.537 -27.445 1.00 0.00 C ATOM 986 CG LYS A 66 -4.746 -20.948 -28.768 1.00 0.00 C ATOM 987 CD LYS A 66 -5.416 -20.249 -29.940 1.00 0.00 C ATOM 988 CE LYS A 66 -6.787 -20.839 -30.231 1.00 0.00 C ATOM 989 NZ LYS A 66 -7.415 -20.218 -31.431 1.00 0.00 N ATOM 0 H LYS A 66 -3.734 -19.518 -25.359 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.881 -18.487 -27.877 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.067 -21.248 -26.675 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.453 -20.598 -27.529 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.682 -20.710 -28.761 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.830 -22.028 -28.891 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.515 -19.186 -29.722 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.786 -20.336 -30.825 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.694 -21.914 -30.385 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.435 -20.695 -29.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.348 -20.647 -31.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.527 -19.196 -31.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.809 -20.377 -32.261 1.00 0.00 H new ATOM 1003 N GLN A 67 -6.628 -17.413 -26.510 1.00 0.00 N ATOM 1004 CA GLN A 67 -7.681 -16.760 -25.742 1.00 0.00 C ATOM 1005 C GLN A 67 -9.020 -17.462 -25.947 1.00 0.00 C ATOM 1006 O GLN A 67 -9.864 -17.001 -26.716 1.00 0.00 O ATOM 1007 CB GLN A 67 -7.797 -15.288 -26.144 1.00 0.00 C ATOM 1008 CG GLN A 67 -8.509 -14.430 -25.112 1.00 0.00 C ATOM 1009 CD GLN A 67 -7.892 -14.545 -23.731 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -6.954 -13.822 -23.395 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -8.418 -15.458 -22.923 1.00 0.00 N ATOM 0 H GLN A 67 -6.368 -16.927 -27.368 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.417 -16.822 -24.686 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.798 -14.886 -26.312 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.331 -15.220 -27.092 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.484 -13.388 -25.431 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.558 -14.723 -25.063 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.195 -16.036 -23.244 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.045 -15.582 -21.982 1.00 0.00 H new ATOM 1020 N THR A 68 -9.208 -18.581 -25.255 1.00 0.00 N ATOM 1021 CA THR A 68 -10.443 -19.348 -25.362 1.00 0.00 C ATOM 1022 C THR A 68 -10.970 -19.735 -23.985 1.00 0.00 C ATOM 1023 O THR A 68 -10.733 -20.846 -23.508 1.00 0.00 O ATOM 1024 CB THR A 68 -10.240 -20.624 -26.200 1.00 0.00 C ATOM 1025 OG1 THR A 68 -9.208 -21.431 -25.622 1.00 0.00 O ATOM 1026 CG2 THR A 68 -9.876 -20.277 -27.635 1.00 0.00 C ATOM 0 H THR A 68 -8.520 -18.977 -24.614 1.00 0.00 H new ATOM 0 HA THR A 68 -11.172 -18.708 -25.860 1.00 0.00 H new ATOM 0 HB THR A 68 -11.177 -21.182 -26.205 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.382 -21.548 -24.665 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.738 -21.194 -28.207 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.677 -19.688 -28.081 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.952 -19.699 -27.646 1.00 0.00 H new ATOM 1034 N LEU A 69 -11.687 -18.815 -23.351 1.00 0.00 N ATOM 1035 CA LEU A 69 -12.250 -19.061 -22.028 1.00 0.00 C ATOM 1036 C LEU A 69 -13.136 -17.899 -21.588 1.00 0.00 C ATOM 1037 O LEU A 69 -13.172 -16.854 -22.237 1.00 0.00 O ATOM 1038 CB LEU A 69 -11.131 -19.278 -21.008 1.00 0.00 C ATOM 1039 CG LEU A 69 -10.118 -18.140 -20.870 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -10.762 -16.930 -20.212 1.00 0.00 C ATOM 1041 CD2 LEU A 69 -8.905 -18.600 -20.075 1.00 0.00 C ATOM 0 H LEU A 69 -11.893 -17.891 -23.731 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.863 -19.961 -22.083 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.585 -19.454 -20.033 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.592 -20.186 -21.277 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.785 -17.851 -21.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.027 -16.130 -20.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.598 -16.587 -20.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.123 -17.204 -19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.195 -17.778 -19.987 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.220 -18.916 -19.080 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.430 -19.436 -20.588 1.00 0.00 H new ATOM 1053 N GLU A 70 -13.847 -18.090 -20.481 1.00 0.00 N ATOM 1054 CA GLU A 70 -14.731 -17.057 -19.954 1.00 0.00 C ATOM 1055 C GLU A 70 -15.302 -17.468 -18.600 1.00 0.00 C ATOM 1056 O GLU A 70 -15.982 -18.487 -18.485 1.00 0.00 O ATOM 1057 CB GLU A 70 -15.870 -16.779 -20.938 1.00 0.00 C ATOM 1058 CG GLU A 70 -16.522 -18.038 -21.485 1.00 0.00 C ATOM 1059 CD GLU A 70 -17.880 -17.770 -22.102 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -17.926 -17.387 -23.290 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -18.897 -17.942 -21.399 1.00 0.00 O ATOM 0 H GLU A 70 -13.828 -18.950 -19.932 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.146 -16.147 -19.820 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.628 -16.173 -20.441 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.485 -16.189 -21.769 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.869 -18.485 -22.234 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.630 -18.766 -20.681 1.00 0.00 H new ATOM 1068 N MET A 71 -15.020 -16.667 -17.578 1.00 0.00 N ATOM 1069 CA MET A 71 -15.506 -16.947 -16.232 1.00 0.00 C ATOM 1070 C MET A 71 -15.221 -15.776 -15.296 1.00 0.00 C ATOM 1071 O MET A 71 -14.528 -14.830 -15.666 1.00 0.00 O ATOM 1072 CB MET A 71 -14.857 -18.220 -15.687 1.00 0.00 C ATOM 1073 CG MET A 71 -13.344 -18.129 -15.568 1.00 0.00 C ATOM 1074 SD MET A 71 -12.532 -19.725 -15.779 1.00 0.00 S ATOM 1075 CE MET A 71 -12.108 -20.116 -14.083 1.00 0.00 C ATOM 0 H MET A 71 -14.458 -15.819 -17.656 1.00 0.00 H new ATOM 0 HA MET A 71 -16.585 -17.092 -16.285 1.00 0.00 H new ATOM 0 HB2 MET A 71 -15.278 -18.441 -14.706 1.00 0.00 H new ATOM 0 HB3 MET A 71 -15.112 -19.056 -16.339 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.966 -17.432 -16.316 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.084 -17.720 -14.591 1.00 0.00 H new ATOM 0 HE1 MET A 71 -11.290 -20.836 -14.069 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.800 -19.207 -13.566 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.976 -20.543 -13.580 1.00 0.00 H new ATOM 1085 N ASN A 72 -15.760 -15.848 -14.084 1.00 0.00 N ATOM 1086 CA ASN A 72 -15.564 -14.794 -13.096 1.00 0.00 C ATOM 1087 C ASN A 72 -15.805 -15.319 -11.684 1.00 0.00 C ATOM 1088 O ASN A 72 -16.876 -15.846 -11.381 1.00 0.00 O ATOM 1089 CB ASN A 72 -16.500 -13.618 -13.382 1.00 0.00 C ATOM 1090 CG ASN A 72 -17.866 -13.799 -12.750 1.00 0.00 C ATOM 1091 OD1 ASN A 72 -18.826 -14.182 -13.419 1.00 0.00 O ATOM 1092 ND2 ASN A 72 -17.959 -13.524 -11.454 1.00 0.00 N ATOM 0 H ASN A 72 -16.336 -16.626 -13.762 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.531 -14.453 -13.166 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.049 -12.699 -13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.614 -13.502 -14.460 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.853 -13.628 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.137 -13.209 -10.939 1.00 0.00 H new ATOM 1099 N LEU A 73 -14.804 -15.170 -10.824 1.00 0.00 N ATOM 1100 CA LEU A 73 -14.907 -15.629 -9.443 1.00 0.00 C ATOM 1101 C LEU A 73 -14.247 -14.637 -8.490 1.00 0.00 C ATOM 1102 O LEU A 73 -13.024 -14.491 -8.476 1.00 0.00 O ATOM 1103 CB LEU A 73 -14.259 -17.006 -9.293 1.00 0.00 C ATOM 1104 CG LEU A 73 -14.818 -18.112 -10.189 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -14.063 -18.163 -11.508 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -14.750 -19.458 -9.481 1.00 0.00 C ATOM 0 H LEU A 73 -13.912 -14.735 -11.058 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.964 -15.702 -9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.192 -16.907 -9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.360 -17.322 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.863 -17.888 -10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.475 -18.956 -12.132 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -14.164 -17.207 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.009 -18.363 -11.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.152 -20.233 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.713 -19.690 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.336 -19.416 -8.563 1.00 0.00 H new ATOM 1118 N THR A 74 -15.065 -13.959 -7.691 1.00 0.00 N ATOM 1119 CA THR A 74 -14.562 -12.983 -6.733 1.00 0.00 C ATOM 1120 C THR A 74 -15.131 -13.233 -5.341 1.00 0.00 C ATOM 1121 O THR A 74 -15.509 -12.298 -4.638 1.00 0.00 O ATOM 1122 CB THR A 74 -14.905 -11.544 -7.164 1.00 0.00 C ATOM 1123 OG1 THR A 74 -16.323 -11.399 -7.300 1.00 0.00 O ATOM 1124 CG2 THR A 74 -14.227 -11.197 -8.481 1.00 0.00 C ATOM 0 H THR A 74 -16.079 -14.068 -7.689 1.00 0.00 H new ATOM 0 HA THR A 74 -13.478 -13.098 -6.705 1.00 0.00 H new ATOM 0 HB THR A 74 -14.542 -10.862 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 74 -16.533 -10.481 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 74 -14.484 -10.176 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 74 -13.146 -11.281 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 74 -14.564 -11.885 -9.256 1.00 0.00 H new ATOM 1132 N ASN A 75 -15.188 -14.502 -4.950 1.00 0.00 N ATOM 1133 CA ASN A 75 -15.711 -14.876 -3.641 1.00 0.00 C ATOM 1134 C ASN A 75 -15.139 -16.215 -3.188 1.00 0.00 C ATOM 1135 O ASN A 75 -14.475 -16.911 -3.958 1.00 0.00 O ATOM 1136 CB ASN A 75 -17.239 -14.949 -3.682 1.00 0.00 C ATOM 1137 CG ASN A 75 -17.864 -14.745 -2.315 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -17.243 -14.182 -1.414 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -19.100 -15.204 -2.156 1.00 0.00 N ATOM 0 H ASN A 75 -14.878 -15.289 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.409 -14.112 -2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -17.618 -14.192 -4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -17.543 -15.918 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -19.573 -15.096 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -19.577 -15.665 -2.931 1.00 0.00 H new ATOM 1146 N LEU A 76 -15.400 -16.571 -1.935 1.00 0.00 N ATOM 1147 CA LEU A 76 -14.911 -17.828 -1.379 1.00 0.00 C ATOM 1148 C LEU A 76 -15.589 -18.134 -0.047 1.00 0.00 C ATOM 1149 O LEU A 76 -16.015 -17.226 0.667 1.00 0.00 O ATOM 1150 CB LEU A 76 -13.394 -17.769 -1.190 1.00 0.00 C ATOM 1151 CG LEU A 76 -12.903 -17.132 0.110 1.00 0.00 C ATOM 1152 CD1 LEU A 76 -13.519 -15.754 0.295 1.00 0.00 C ATOM 1153 CD2 LEU A 76 -13.227 -18.027 1.298 1.00 0.00 C ATOM 0 H LEU A 76 -15.947 -16.007 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 76 -15.153 -18.626 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.002 -18.785 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.965 -17.217 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.821 -17.018 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.158 -15.316 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -13.237 -15.114 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.605 -15.843 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.870 -17.558 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -14.305 -18.172 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.738 -18.993 1.170 1.00 0.00 H new ATOM 1165 N VAL A 77 -15.683 -19.418 0.282 1.00 0.00 N ATOM 1166 CA VAL A 77 -16.306 -19.844 1.529 1.00 0.00 C ATOM 1167 C VAL A 77 -15.376 -20.753 2.325 1.00 0.00 C ATOM 1168 O VAL A 77 -15.328 -20.688 3.554 1.00 0.00 O ATOM 1169 CB VAL A 77 -17.632 -20.585 1.271 1.00 0.00 C ATOM 1170 CG1 VAL A 77 -18.674 -19.632 0.706 1.00 0.00 C ATOM 1171 CG2 VAL A 77 -17.410 -21.762 0.334 1.00 0.00 C ATOM 0 H VAL A 77 -15.335 -20.182 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.509 -18.941 2.105 1.00 0.00 H new ATOM 0 HB VAL A 77 -18.004 -20.971 2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.604 -20.173 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.852 -18.825 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -18.313 -19.215 -0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.357 -22.274 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.015 -21.401 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.699 -22.455 0.783 1.00 0.00 H new ATOM 1181 N LYS A 78 -14.637 -21.600 1.618 1.00 0.00 N ATOM 1182 CA LYS A 78 -13.706 -22.522 2.257 1.00 0.00 C ATOM 1183 C LYS A 78 -12.303 -22.366 1.678 1.00 0.00 C ATOM 1184 O LYS A 78 -11.351 -22.078 2.403 1.00 0.00 O ATOM 1185 CB LYS A 78 -14.184 -23.966 2.081 1.00 0.00 C ATOM 1186 CG LYS A 78 -13.341 -24.981 2.834 1.00 0.00 C ATOM 1187 CD LYS A 78 -13.733 -26.405 2.477 1.00 0.00 C ATOM 1188 CE LYS A 78 -14.891 -26.896 3.333 1.00 0.00 C ATOM 1189 NZ LYS A 78 -15.252 -28.307 3.022 1.00 0.00 N ATOM 0 H LYS A 78 -14.665 -21.667 0.601 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.670 -22.285 3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -15.217 -24.042 2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -14.177 -24.216 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.287 -24.824 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -13.458 -24.828 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.011 -26.454 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.875 -27.064 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.624 -26.813 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -15.758 -26.256 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.045 -28.604 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.531 -28.382 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.432 -28.922 3.199 1.00 0.00 H new ATOM 1203 N SER A 79 -12.183 -22.558 0.368 1.00 0.00 N ATOM 1204 CA SER A 79 -10.896 -22.441 -0.306 1.00 0.00 C ATOM 1205 C SER A 79 -10.097 -21.265 0.248 1.00 0.00 C ATOM 1206 O SER A 79 -10.631 -20.175 0.445 1.00 0.00 O ATOM 1207 CB SER A 79 -11.100 -22.268 -1.813 1.00 0.00 C ATOM 1208 OG SER A 79 -11.570 -20.966 -2.118 1.00 0.00 O ATOM 0 H SER A 79 -12.961 -22.795 -0.247 1.00 0.00 H new ATOM 0 HA SER A 79 -10.334 -23.357 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.160 -22.450 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.813 -23.009 -2.174 1.00 0.00 H new ATOM 0 HG SER A 79 -12.324 -21.028 -2.741 1.00 0.00 H new ATOM 1214 N GLY A 80 -8.811 -21.497 0.499 1.00 0.00 N ATOM 1215 CA GLY A 80 -7.958 -20.450 1.029 1.00 0.00 C ATOM 1216 C GLY A 80 -6.500 -20.652 0.669 1.00 0.00 C ATOM 1217 O GLY A 80 -6.054 -20.305 -0.425 1.00 0.00 O ATOM 0 H GLY A 80 -8.346 -22.391 0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.293 -19.485 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.060 -20.417 2.114 1.00 0.00 H new ATOM 1221 N PRO A 81 -5.730 -21.227 1.605 1.00 0.00 N ATOM 1222 CA PRO A 81 -4.301 -21.487 1.405 1.00 0.00 C ATOM 1223 C PRO A 81 -4.051 -22.590 0.382 1.00 0.00 C ATOM 1224 O PRO A 81 -4.627 -23.674 0.471 1.00 0.00 O ATOM 1225 CB PRO A 81 -3.822 -21.924 2.791 1.00 0.00 C ATOM 1226 CG PRO A 81 -5.038 -22.471 3.457 1.00 0.00 C ATOM 1227 CD PRO A 81 -6.195 -21.667 2.931 1.00 0.00 C ATOM 0 HA PRO A 81 -3.778 -20.614 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.037 -22.677 2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.408 -21.085 3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.164 -23.530 3.231 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.962 -22.383 4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.102 -22.267 2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.423 -20.820 3.578 1.00 0.00 H new ATOM 1235 N SER A 82 -3.188 -22.307 -0.588 1.00 0.00 N ATOM 1236 CA SER A 82 -2.864 -23.274 -1.630 1.00 0.00 C ATOM 1237 C SER A 82 -1.492 -23.896 -1.387 1.00 0.00 C ATOM 1238 O SER A 82 -0.493 -23.468 -1.966 1.00 0.00 O ATOM 1239 CB SER A 82 -2.896 -22.605 -3.005 1.00 0.00 C ATOM 1240 OG SER A 82 -2.080 -21.447 -3.028 1.00 0.00 O ATOM 0 H SER A 82 -2.700 -21.415 -0.674 1.00 0.00 H new ATOM 0 HA SER A 82 -3.613 -24.065 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.555 -23.309 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.922 -22.336 -3.258 1.00 0.00 H new ATOM 0 HG SER A 82 -1.184 -21.671 -2.699 1.00 0.00 H new ATOM 1246 N SER A 83 -1.452 -24.907 -0.525 1.00 0.00 N ATOM 1247 CA SER A 83 -0.202 -25.586 -0.201 1.00 0.00 C ATOM 1248 C SER A 83 -0.336 -27.093 -0.398 1.00 0.00 C ATOM 1249 O SER A 83 -0.605 -27.832 0.548 1.00 0.00 O ATOM 1250 CB SER A 83 0.208 -25.283 1.241 1.00 0.00 C ATOM 1251 OG SER A 83 0.821 -24.009 1.340 1.00 0.00 O ATOM 0 H SER A 83 -2.270 -25.274 -0.039 1.00 0.00 H new ATOM 0 HA SER A 83 0.570 -25.216 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.669 -25.319 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.897 -26.050 1.595 1.00 0.00 H new ATOM 0 HG SER A 83 1.072 -23.838 2.272 1.00 0.00 H new ATOM 1257 N GLY A 84 -0.146 -27.541 -1.635 1.00 0.00 N ATOM 1258 CA GLY A 84 -0.250 -28.957 -1.935 1.00 0.00 C ATOM 1259 C GLY A 84 0.748 -29.402 -2.985 1.00 0.00 C ATOM 1260 O GLY A 84 0.931 -30.605 -3.167 1.00 0.00 O ATOM 0 H GLY A 84 0.078 -26.949 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.092 -29.531 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.260 -29.179 -2.281 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.882 -0.709 -8.073 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.288 1.305 -4.708 1.00 0.00 ZN