USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot -95:sc= 0.843 USER MOD Set 1.2: A 62 SER OG : rot -50:sc= -0.0602 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0708 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0408 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc=-0.00515 X(o=-0.0051,f=-0.38) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00168 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc=-0.00254 X(o=-0.0025,f=-0.0025) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.113 K(o=-0.11,f=-3.7!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.588 K(o=0.59,f=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= -4.64! (180deg=-6.73!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.445 USER MOD Single : A 49 MET CE :methyl -158:sc= -1.16 (180deg=-2.29!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -145:sc= -2.01 (180deg=-3.13!) USER MOD Single : A 66 CYS SG : rot 150:sc= -2.56 USER MOD Single : A 70 THR OG1 : rot -150:sc= -0.193 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 170:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 83 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-6!) USER MOD Single : A 94 ASN : amide:sc= -2.03 X(o=-2,f=-2.3!) USER MOD Single : A 99 GLN : amide:sc= -0.0105 K(o=-0.011,f=-1.3) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.3) USER MOD Single : A 113 SER OG : rot -28:sc= 1.07 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -4:sc= 1.05 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.813 -5.178 -23.121 1.00 0.00 N ATOM 2 CA GLY A 1 -9.160 -6.249 -22.202 1.00 0.00 C ATOM 3 C GLY A 1 -10.600 -6.715 -22.421 1.00 0.00 C ATOM 4 O GLY A 1 -11.158 -6.533 -23.503 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.930 -5.417 -23.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.577 -5.056 -23.816 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.684 -4.293 -22.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.478 -7.088 -22.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.038 -5.905 -21.175 1.00 0.00 H new ATOM 8 N SER A 2 -11.162 -7.307 -21.378 1.00 0.00 N ATOM 9 CA SER A 2 -12.528 -7.800 -21.443 1.00 0.00 C ATOM 10 C SER A 2 -13.511 -6.633 -21.340 1.00 0.00 C ATOM 11 O SER A 2 -13.735 -6.098 -20.256 1.00 0.00 O ATOM 12 CB SER A 2 -12.798 -8.821 -20.335 1.00 0.00 C ATOM 13 OG SER A 2 -11.781 -9.818 -20.268 1.00 0.00 O ATOM 0 H SER A 2 -10.697 -7.457 -20.483 1.00 0.00 H new ATOM 0 HA SER A 2 -12.666 -8.299 -22.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.865 -8.306 -19.376 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.763 -9.298 -20.509 1.00 0.00 H new ATOM 0 HG SER A 2 -11.989 -10.449 -19.548 1.00 0.00 H new ATOM 19 N SER A 3 -14.073 -6.273 -22.485 1.00 0.00 N ATOM 20 CA SER A 3 -15.028 -5.179 -22.538 1.00 0.00 C ATOM 21 C SER A 3 -15.613 -5.062 -23.947 1.00 0.00 C ATOM 22 O SER A 3 -14.916 -5.294 -24.933 1.00 0.00 O ATOM 23 CB SER A 3 -14.376 -3.858 -22.123 1.00 0.00 C ATOM 24 OG SER A 3 -13.285 -3.512 -22.971 1.00 0.00 O ATOM 0 H SER A 3 -13.885 -6.719 -23.383 1.00 0.00 H new ATOM 0 HA SER A 3 -15.832 -5.393 -21.834 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.121 -3.063 -22.148 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.025 -3.934 -21.094 1.00 0.00 H new ATOM 0 HG SER A 3 -12.897 -2.662 -22.675 1.00 0.00 H new ATOM 30 N GLY A 4 -16.887 -4.703 -23.996 1.00 0.00 N ATOM 31 CA GLY A 4 -17.574 -4.553 -25.268 1.00 0.00 C ATOM 32 C GLY A 4 -19.086 -4.705 -25.096 1.00 0.00 C ATOM 33 O GLY A 4 -19.574 -5.792 -24.790 1.00 0.00 O ATOM 0 H GLY A 4 -17.462 -4.512 -23.176 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.349 -3.575 -25.693 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.208 -5.299 -25.973 1.00 0.00 H new ATOM 37 N SER A 5 -19.787 -3.599 -25.300 1.00 0.00 N ATOM 38 CA SER A 5 -21.235 -3.596 -25.172 1.00 0.00 C ATOM 39 C SER A 5 -21.841 -2.551 -26.110 1.00 0.00 C ATOM 40 O SER A 5 -21.386 -1.409 -26.151 1.00 0.00 O ATOM 41 CB SER A 5 -21.659 -3.322 -23.727 1.00 0.00 C ATOM 42 OG SER A 5 -21.005 -4.190 -22.805 1.00 0.00 O ATOM 0 H SER A 5 -19.379 -2.699 -25.553 1.00 0.00 H new ATOM 0 HA SER A 5 -21.605 -4.583 -25.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.433 -2.286 -23.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.738 -3.444 -23.637 1.00 0.00 H new ATOM 0 HG SER A 5 -21.301 -3.983 -21.894 1.00 0.00 H new ATOM 48 N SER A 6 -22.859 -2.980 -26.842 1.00 0.00 N ATOM 49 CA SER A 6 -23.533 -2.095 -27.778 1.00 0.00 C ATOM 50 C SER A 6 -23.718 -0.712 -27.150 1.00 0.00 C ATOM 51 O SER A 6 -23.716 -0.576 -25.928 1.00 0.00 O ATOM 52 CB SER A 6 -24.885 -2.671 -28.203 1.00 0.00 C ATOM 53 OG SER A 6 -24.989 -2.801 -29.619 1.00 0.00 O ATOM 0 H SER A 6 -23.233 -3.928 -26.806 1.00 0.00 H new ATOM 0 HA SER A 6 -22.912 -2.002 -28.669 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.026 -3.647 -27.738 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.685 -2.026 -27.838 1.00 0.00 H new ATOM 0 HG SER A 6 -25.866 -3.174 -29.850 1.00 0.00 H new ATOM 59 N GLY A 7 -23.873 0.279 -28.016 1.00 0.00 N ATOM 60 CA GLY A 7 -24.059 1.646 -27.561 1.00 0.00 C ATOM 61 C GLY A 7 -23.010 2.023 -26.512 1.00 0.00 C ATOM 62 O GLY A 7 -22.098 1.246 -26.235 1.00 0.00 O ATOM 0 H GLY A 7 -23.874 0.162 -29.029 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.992 2.328 -28.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.058 1.760 -27.139 1.00 0.00 H new ATOM 66 N HIS A 8 -23.176 3.215 -25.959 1.00 0.00 N ATOM 67 CA HIS A 8 -22.255 3.704 -24.946 1.00 0.00 C ATOM 68 C HIS A 8 -23.021 4.530 -23.911 1.00 0.00 C ATOM 69 O HIS A 8 -22.764 5.721 -23.748 1.00 0.00 O ATOM 70 CB HIS A 8 -21.104 4.480 -25.589 1.00 0.00 C ATOM 71 CG HIS A 8 -20.038 3.603 -26.202 1.00 0.00 C ATOM 72 ND1 HIS A 8 -20.116 3.125 -27.499 1.00 0.00 N ATOM 73 CD2 HIS A 8 -18.871 3.124 -25.684 1.00 0.00 C ATOM 74 CE1 HIS A 8 -19.039 2.391 -27.739 1.00 0.00 C ATOM 75 NE2 HIS A 8 -18.269 2.392 -26.613 1.00 0.00 N ATOM 0 H HIS A 8 -23.934 3.857 -26.193 1.00 0.00 H new ATOM 0 HA HIS A 8 -21.802 2.861 -24.424 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -21.508 5.136 -26.360 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -20.645 5.119 -24.835 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -18.500 3.309 -24.687 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -18.811 1.882 -28.664 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -17.377 1.909 -26.503 1.00 0.00 H new ATOM 83 N SER A 9 -23.949 3.863 -23.239 1.00 0.00 N ATOM 84 CA SER A 9 -24.754 4.520 -22.224 1.00 0.00 C ATOM 85 C SER A 9 -24.830 3.648 -20.970 1.00 0.00 C ATOM 86 O SER A 9 -25.808 2.930 -20.767 1.00 0.00 O ATOM 87 CB SER A 9 -26.161 4.821 -22.747 1.00 0.00 C ATOM 88 OG SER A 9 -27.045 5.216 -21.702 1.00 0.00 O ATOM 0 H SER A 9 -24.161 2.875 -23.378 1.00 0.00 H new ATOM 0 HA SER A 9 -24.278 5.468 -21.971 1.00 0.00 H new ATOM 0 HB2 SER A 9 -26.108 5.612 -23.496 1.00 0.00 H new ATOM 0 HB3 SER A 9 -26.560 3.937 -23.245 1.00 0.00 H new ATOM 0 HG SER A 9 -27.932 5.401 -22.076 1.00 0.00 H new ATOM 94 N HIS A 10 -23.784 3.738 -20.161 1.00 0.00 N ATOM 95 CA HIS A 10 -23.720 2.965 -18.932 1.00 0.00 C ATOM 96 C HIS A 10 -22.695 3.593 -17.985 1.00 0.00 C ATOM 97 O HIS A 10 -21.883 4.417 -18.401 1.00 0.00 O ATOM 98 CB HIS A 10 -23.428 1.493 -19.230 1.00 0.00 C ATOM 99 CG HIS A 10 -24.564 0.560 -18.886 1.00 0.00 C ATOM 100 ND1 HIS A 10 -25.296 -0.117 -19.846 1.00 0.00 N ATOM 101 CD2 HIS A 10 -25.085 0.198 -17.679 1.00 0.00 C ATOM 102 CE1 HIS A 10 -26.214 -0.850 -19.233 1.00 0.00 C ATOM 103 NE2 HIS A 10 -26.082 -0.653 -17.890 1.00 0.00 N ATOM 0 H HIS A 10 -22.974 4.334 -20.333 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.688 2.989 -18.432 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -23.192 1.387 -20.289 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -22.541 1.189 -18.674 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -24.744 0.545 -16.715 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.939 -1.491 -19.713 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -26.655 -1.088 -17.167 1.00 0.00 H new ATOM 111 N SER A 11 -22.767 3.177 -16.729 1.00 0.00 N ATOM 112 CA SER A 11 -21.856 3.688 -15.719 1.00 0.00 C ATOM 113 C SER A 11 -20.781 2.644 -15.407 1.00 0.00 C ATOM 114 O SER A 11 -20.869 1.504 -15.860 1.00 0.00 O ATOM 115 CB SER A 11 -22.607 4.073 -14.443 1.00 0.00 C ATOM 116 OG SER A 11 -23.704 4.943 -14.711 1.00 0.00 O ATOM 0 H SER A 11 -23.442 2.492 -16.388 1.00 0.00 H new ATOM 0 HA SER A 11 -21.379 4.586 -16.112 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.971 3.171 -13.951 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.920 4.559 -13.750 1.00 0.00 H new ATOM 0 HG SER A 11 -24.159 5.164 -13.872 1.00 0.00 H new ATOM 122 N ASP A 12 -19.792 3.072 -14.636 1.00 0.00 N ATOM 123 CA ASP A 12 -18.702 2.188 -14.258 1.00 0.00 C ATOM 124 C ASP A 12 -17.905 1.806 -15.507 1.00 0.00 C ATOM 125 O ASP A 12 -17.952 0.660 -15.951 1.00 0.00 O ATOM 126 CB ASP A 12 -19.232 0.901 -13.623 1.00 0.00 C ATOM 127 CG ASP A 12 -18.231 0.159 -12.735 1.00 0.00 C ATOM 128 OD1 ASP A 12 -17.038 0.529 -12.793 1.00 0.00 O ATOM 129 OD2 ASP A 12 -18.681 -0.760 -12.017 1.00 0.00 O ATOM 0 H ASP A 12 -19.723 4.019 -14.263 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.075 2.714 -13.538 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.113 1.143 -13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.558 0.229 -14.417 1.00 0.00 H new ATOM 134 N LYS A 13 -17.193 2.788 -16.039 1.00 0.00 N ATOM 135 CA LYS A 13 -16.387 2.569 -17.228 1.00 0.00 C ATOM 136 C LYS A 13 -15.418 1.413 -16.976 1.00 0.00 C ATOM 137 O LYS A 13 -15.774 0.249 -17.154 1.00 0.00 O ATOM 138 CB LYS A 13 -15.698 3.867 -17.655 1.00 0.00 C ATOM 139 CG LYS A 13 -16.442 4.526 -18.819 1.00 0.00 C ATOM 140 CD LYS A 13 -15.836 4.112 -20.161 1.00 0.00 C ATOM 141 CE LYS A 13 -16.843 4.297 -21.298 1.00 0.00 C ATOM 142 NZ LYS A 13 -16.277 3.812 -22.576 1.00 0.00 N ATOM 0 H LYS A 13 -17.157 3.738 -15.669 1.00 0.00 H new ATOM 0 HA LYS A 13 -17.018 2.279 -18.068 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.655 4.555 -16.810 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.669 3.657 -17.948 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.495 4.244 -18.789 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.399 5.610 -18.716 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.944 4.706 -20.360 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.521 3.070 -20.116 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.761 3.754 -21.071 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.109 5.350 -21.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.973 3.945 -23.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.414 4.348 -22.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.045 2.802 -22.492 1.00 0.00 H new ATOM 156 N HIS A 14 -14.211 1.773 -16.566 1.00 0.00 N ATOM 157 CA HIS A 14 -13.187 0.780 -16.287 1.00 0.00 C ATOM 158 C HIS A 14 -12.583 1.039 -14.906 1.00 0.00 C ATOM 159 O HIS A 14 -12.489 2.185 -14.470 1.00 0.00 O ATOM 160 CB HIS A 14 -12.136 0.757 -17.399 1.00 0.00 C ATOM 161 CG HIS A 14 -12.711 0.575 -18.784 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.147 -0.649 -19.260 1.00 0.00 N ATOM 163 CD2 HIS A 14 -12.917 1.475 -19.788 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.592 -0.482 -20.496 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.448 0.835 -20.822 1.00 0.00 N ATOM 0 H HIS A 14 -13.919 2.739 -16.420 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.635 -0.214 -16.268 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.571 1.689 -17.371 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.430 -0.049 -17.201 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.687 2.529 -19.748 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.998 -1.253 -21.134 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.706 1.258 -21.714 1.00 0.00 H new ATOM 173 N PRO A 15 -12.178 -0.075 -14.238 1.00 0.00 N ATOM 174 CA PRO A 15 -11.586 0.020 -12.914 1.00 0.00 C ATOM 175 C PRO A 15 -10.148 0.538 -12.993 1.00 0.00 C ATOM 176 O PRO A 15 -9.720 1.321 -12.148 1.00 0.00 O ATOM 177 CB PRO A 15 -11.681 -1.383 -12.339 1.00 0.00 C ATOM 178 CG PRO A 15 -11.896 -2.307 -13.527 1.00 0.00 C ATOM 179 CD PRO A 15 -12.274 -1.448 -14.723 1.00 0.00 C ATOM 0 HA PRO A 15 -12.102 0.734 -12.272 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.771 -1.646 -11.799 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.506 -1.460 -11.630 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.990 -2.876 -13.737 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.684 -3.029 -13.311 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.600 -1.619 -15.562 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.281 -1.675 -15.071 1.00 0.00 H new ATOM 187 N VAL A 16 -9.443 0.078 -14.017 1.00 0.00 N ATOM 188 CA VAL A 16 -8.063 0.484 -14.217 1.00 0.00 C ATOM 189 C VAL A 16 -8.013 1.617 -15.245 1.00 0.00 C ATOM 190 O VAL A 16 -8.833 1.665 -16.160 1.00 0.00 O ATOM 191 CB VAL A 16 -7.214 -0.724 -14.617 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.698 -1.992 -13.911 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.207 -0.911 -16.135 1.00 0.00 C ATOM 0 H VAL A 16 -9.802 -0.572 -14.716 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.640 0.868 -13.289 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.189 -0.533 -14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.078 -2.836 -14.213 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.627 -1.857 -12.832 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.735 -2.188 -14.185 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.596 -1.776 -16.392 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.226 -1.069 -16.487 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.793 -0.021 -16.609 1.00 0.00 H new ATOM 203 N THR A 17 -7.042 2.499 -15.059 1.00 0.00 N ATOM 204 CA THR A 17 -6.875 3.628 -15.959 1.00 0.00 C ATOM 205 C THR A 17 -5.401 4.030 -16.041 1.00 0.00 C ATOM 206 O THR A 17 -4.781 4.340 -15.025 1.00 0.00 O ATOM 207 CB THR A 17 -7.787 4.757 -15.475 1.00 0.00 C ATOM 208 OG1 THR A 17 -7.970 4.487 -14.088 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.197 4.664 -16.062 1.00 0.00 C ATOM 0 H THR A 17 -6.363 2.455 -14.299 1.00 0.00 H new ATOM 0 HA THR A 17 -7.166 3.370 -16.977 1.00 0.00 H new ATOM 0 HB THR A 17 -7.346 5.718 -15.741 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.549 5.173 -13.695 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.803 5.489 -15.686 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.143 4.720 -17.149 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.651 3.717 -15.769 1.00 0.00 H new ATOM 217 N TRP A 18 -4.883 4.012 -17.261 1.00 0.00 N ATOM 218 CA TRP A 18 -3.494 4.371 -17.489 1.00 0.00 C ATOM 219 C TRP A 18 -3.467 5.608 -18.390 1.00 0.00 C ATOM 220 O TRP A 18 -3.783 5.523 -19.576 1.00 0.00 O ATOM 221 CB TRP A 18 -2.711 3.192 -18.070 1.00 0.00 C ATOM 222 CG TRP A 18 -2.468 2.056 -17.074 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.247 0.995 -16.826 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.330 1.911 -16.197 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.698 0.179 -15.858 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.495 0.754 -15.463 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.200 2.730 -16.030 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.569 0.311 -14.511 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.717 2.274 -15.075 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.565 1.111 -14.328 1.00 0.00 C ATOM 0 H TRP A 18 -5.401 3.754 -18.101 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.999 4.614 -16.549 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.252 2.798 -18.930 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.750 3.552 -18.436 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.187 0.802 -17.322 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.100 -0.687 -15.498 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.051 3.639 -16.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.721 -0.598 -13.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.604 2.867 -14.907 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.319 0.826 -13.609 1.00 0.00 H new ATOM 241 N GLN A 19 -3.087 6.728 -17.792 1.00 0.00 N ATOM 242 CA GLN A 19 -3.015 7.980 -18.525 1.00 0.00 C ATOM 243 C GLN A 19 -1.779 8.775 -18.098 1.00 0.00 C ATOM 244 O GLN A 19 -1.308 8.638 -16.971 1.00 0.00 O ATOM 245 CB GLN A 19 -4.290 8.803 -18.332 1.00 0.00 C ATOM 246 CG GLN A 19 -5.511 8.060 -18.878 1.00 0.00 C ATOM 247 CD GLN A 19 -5.676 8.307 -20.379 1.00 0.00 C ATOM 248 OE1 GLN A 19 -4.717 8.445 -21.121 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.942 8.355 -20.784 1.00 0.00 N ATOM 0 H GLN A 19 -2.826 6.794 -16.808 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.927 7.752 -19.587 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.433 9.015 -17.272 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.188 9.763 -18.838 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.405 6.991 -18.691 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.407 8.388 -18.351 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.698 8.231 -20.110 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.157 8.515 -21.768 1.00 0.00 H new ATOM 258 N PRO A 20 -1.277 9.609 -19.047 1.00 0.00 N ATOM 259 CA PRO A 20 -0.105 10.425 -18.781 1.00 0.00 C ATOM 260 C PRO A 20 -0.455 11.609 -17.877 1.00 0.00 C ATOM 261 O PRO A 20 -1.627 11.942 -17.711 1.00 0.00 O ATOM 262 CB PRO A 20 0.397 10.853 -20.151 1.00 0.00 C ATOM 263 CG PRO A 20 -0.770 10.650 -21.104 1.00 0.00 C ATOM 264 CD PRO A 20 -1.808 9.796 -20.394 1.00 0.00 C ATOM 0 HA PRO A 20 0.670 9.883 -18.239 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.717 11.895 -20.142 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.258 10.258 -20.455 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.198 11.610 -21.393 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.435 10.162 -22.019 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.779 10.291 -20.372 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.948 8.841 -20.900 1.00 0.00 H new ATOM 272 N SER A 21 0.583 12.212 -17.316 1.00 0.00 N ATOM 273 CA SER A 21 0.400 13.351 -16.433 1.00 0.00 C ATOM 274 C SER A 21 -0.189 14.528 -17.213 1.00 0.00 C ATOM 275 O SER A 21 -0.268 14.487 -18.440 1.00 0.00 O ATOM 276 CB SER A 21 1.721 13.757 -15.776 1.00 0.00 C ATOM 277 OG SER A 21 2.400 14.764 -16.521 1.00 0.00 O ATOM 0 H SER A 21 1.554 11.933 -17.456 1.00 0.00 H new ATOM 0 HA SER A 21 -0.294 13.063 -15.643 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.527 14.121 -14.767 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.363 12.881 -15.681 1.00 0.00 H new ATOM 0 HG SER A 21 3.237 14.997 -16.068 1.00 0.00 H new ATOM 283 N LYS A 22 -0.588 15.549 -16.469 1.00 0.00 N ATOM 284 CA LYS A 22 -1.167 16.736 -17.075 1.00 0.00 C ATOM 285 C LYS A 22 -0.357 17.116 -18.317 1.00 0.00 C ATOM 286 O LYS A 22 -0.904 17.207 -19.415 1.00 0.00 O ATOM 287 CB LYS A 22 -1.280 17.863 -16.047 1.00 0.00 C ATOM 288 CG LYS A 22 -2.724 18.355 -15.930 1.00 0.00 C ATOM 289 CD LYS A 22 -3.101 19.238 -17.121 1.00 0.00 C ATOM 290 CE LYS A 22 -4.598 19.550 -17.121 1.00 0.00 C ATOM 291 NZ LYS A 22 -5.361 18.433 -17.721 1.00 0.00 N ATOM 0 H LYS A 22 -0.522 15.579 -15.452 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.186 16.535 -17.406 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.932 17.511 -15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.632 18.691 -16.336 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.400 17.501 -15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.847 18.916 -15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.532 20.167 -17.083 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.831 18.736 -18.050 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.939 19.724 -16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.784 20.467 -17.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.376 18.662 -17.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.047 18.285 -18.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.197 17.566 -17.171 1.00 0.00 H new ATOM 305 N ASP A 23 0.932 17.328 -18.101 1.00 0.00 N ATOM 306 CA ASP A 23 1.823 17.696 -19.189 1.00 0.00 C ATOM 307 C ASP A 23 1.824 16.584 -20.239 1.00 0.00 C ATOM 308 O ASP A 23 1.298 16.762 -21.337 1.00 0.00 O ATOM 309 CB ASP A 23 3.257 17.877 -18.689 1.00 0.00 C ATOM 310 CG ASP A 23 3.695 19.329 -18.491 1.00 0.00 C ATOM 311 OD1 ASP A 23 2.791 20.185 -18.386 1.00 0.00 O ATOM 312 OD2 ASP A 23 4.925 19.551 -18.448 1.00 0.00 O ATOM 0 H ASP A 23 1.382 17.252 -17.189 1.00 0.00 H new ATOM 0 HA ASP A 23 1.468 18.636 -19.613 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.365 17.349 -17.742 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.935 17.402 -19.398 1.00 0.00 H new ATOM 317 N GLY A 24 2.421 15.462 -19.866 1.00 0.00 N ATOM 318 CA GLY A 24 2.498 14.321 -20.763 1.00 0.00 C ATOM 319 C GLY A 24 3.911 13.733 -20.782 1.00 0.00 C ATOM 320 O GLY A 24 4.434 13.400 -21.844 1.00 0.00 O ATOM 0 H GLY A 24 2.856 15.318 -18.955 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.787 13.558 -20.448 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.213 14.626 -21.770 1.00 0.00 H new ATOM 324 N ASP A 25 4.487 13.623 -19.594 1.00 0.00 N ATOM 325 CA ASP A 25 5.829 13.081 -19.461 1.00 0.00 C ATOM 326 C ASP A 25 5.783 11.825 -18.589 1.00 0.00 C ATOM 327 O ASP A 25 6.391 10.810 -18.923 1.00 0.00 O ATOM 328 CB ASP A 25 6.766 14.088 -18.791 1.00 0.00 C ATOM 329 CG ASP A 25 7.524 15.005 -19.752 1.00 0.00 C ATOM 330 OD1 ASP A 25 6.892 15.971 -20.232 1.00 0.00 O ATOM 331 OD2 ASP A 25 8.719 14.720 -19.985 1.00 0.00 O ATOM 0 H ASP A 25 4.049 13.900 -18.715 1.00 0.00 H new ATOM 0 HA ASP A 25 6.201 12.852 -20.460 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.183 14.705 -18.108 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.490 13.541 -18.187 1.00 0.00 H new ATOM 336 N ARG A 26 5.054 11.935 -17.487 1.00 0.00 N ATOM 337 CA ARG A 26 4.921 10.820 -16.564 1.00 0.00 C ATOM 338 C ARG A 26 3.588 10.103 -16.788 1.00 0.00 C ATOM 339 O ARG A 26 2.601 10.726 -17.176 1.00 0.00 O ATOM 340 CB ARG A 26 4.999 11.295 -15.112 1.00 0.00 C ATOM 341 CG ARG A 26 6.451 11.511 -14.683 1.00 0.00 C ATOM 342 CD ARG A 26 7.004 10.273 -13.974 1.00 0.00 C ATOM 343 NE ARG A 26 8.464 10.174 -14.192 1.00 0.00 N ATOM 344 CZ ARG A 26 9.379 10.831 -13.466 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.989 11.639 -12.471 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.682 10.680 -13.736 1.00 0.00 N ATOM 0 H ARG A 26 4.550 12.778 -17.213 1.00 0.00 H new ATOM 0 HA ARG A 26 5.745 10.132 -16.754 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.441 12.224 -14.999 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.529 10.559 -14.459 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.062 11.737 -15.557 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.513 12.373 -14.019 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.791 10.330 -12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.510 9.377 -14.351 1.00 0.00 H new ATOM 0 HE ARG A 26 8.795 9.567 -14.942 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.996 11.754 -12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.685 12.139 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.978 10.065 -14.494 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.379 11.180 -13.184 1.00 0.00 H new ATOM 360 N LEU A 27 3.602 8.803 -16.534 1.00 0.00 N ATOM 361 CA LEU A 27 2.407 7.994 -16.703 1.00 0.00 C ATOM 362 C LEU A 27 1.775 7.734 -15.334 1.00 0.00 C ATOM 363 O LEU A 27 2.450 7.287 -14.408 1.00 0.00 O ATOM 364 CB LEU A 27 2.730 6.718 -17.483 1.00 0.00 C ATOM 365 CG LEU A 27 1.839 6.429 -18.693 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.444 7.027 -18.503 1.00 0.00 C ATOM 367 CD2 LEU A 27 2.498 6.911 -19.987 1.00 0.00 C ATOM 0 H LEU A 27 4.422 8.289 -16.212 1.00 0.00 H new ATOM 0 HA LEU A 27 1.667 8.527 -17.300 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.764 6.776 -17.823 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.666 5.872 -16.799 1.00 0.00 H new ATOM 0 HG LEU A 27 1.717 5.349 -18.777 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.168 6.807 -19.377 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.020 6.594 -17.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.525 8.107 -18.379 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.844 6.693 -20.831 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.670 7.986 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.450 6.398 -20.124 1.00 0.00 H new ATOM 379 N ILE A 28 0.485 8.027 -15.249 1.00 0.00 N ATOM 380 CA ILE A 28 -0.246 7.831 -14.008 1.00 0.00 C ATOM 381 C ILE A 28 -1.211 6.654 -14.171 1.00 0.00 C ATOM 382 O ILE A 28 -2.292 6.807 -14.737 1.00 0.00 O ATOM 383 CB ILE A 28 -0.928 9.130 -13.577 1.00 0.00 C ATOM 384 CG1 ILE A 28 0.029 10.318 -13.697 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.510 9.003 -12.168 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.348 10.033 -12.975 1.00 0.00 C ATOM 0 H ILE A 28 -0.072 8.398 -16.019 1.00 0.00 H new ATOM 0 HA ILE A 28 0.438 7.574 -13.199 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.762 9.318 -14.254 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.224 10.528 -14.749 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.436 11.209 -13.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.989 9.941 -11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.246 8.199 -12.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.710 8.778 -11.463 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.011 10.893 -13.075 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.152 9.847 -11.919 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.822 9.156 -13.416 1.00 0.00 H new ATOM 398 N GLY A 29 -0.786 5.507 -13.663 1.00 0.00 N ATOM 399 CA GLY A 29 -1.598 4.305 -13.745 1.00 0.00 C ATOM 400 C GLY A 29 -2.414 4.107 -12.466 1.00 0.00 C ATOM 401 O GLY A 29 -1.860 4.094 -11.368 1.00 0.00 O ATOM 0 H GLY A 29 0.111 5.384 -13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.268 4.372 -14.602 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.957 3.439 -13.909 1.00 0.00 H new ATOM 405 N ARG A 30 -3.718 3.958 -12.651 1.00 0.00 N ATOM 406 CA ARG A 30 -4.615 3.761 -11.525 1.00 0.00 C ATOM 407 C ARG A 30 -5.345 2.422 -11.656 1.00 0.00 C ATOM 408 O ARG A 30 -6.118 2.222 -12.592 1.00 0.00 O ATOM 409 CB ARG A 30 -5.645 4.889 -11.438 1.00 0.00 C ATOM 410 CG ARG A 30 -5.436 5.724 -10.173 1.00 0.00 C ATOM 411 CD ARG A 30 -6.067 7.110 -10.321 1.00 0.00 C ATOM 412 NE ARG A 30 -6.360 7.679 -8.987 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.834 8.916 -8.784 1.00 0.00 C ATOM 414 NH1 ARG A 30 -7.070 9.722 -9.828 1.00 0.00 N ATOM 415 NH2 ARG A 30 -7.070 9.347 -7.538 1.00 0.00 N ATOM 0 H ARG A 30 -4.174 3.970 -13.563 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.013 3.763 -10.617 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.565 5.528 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.651 4.469 -11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.874 5.210 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.370 5.826 -9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.392 7.769 -10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.985 7.040 -10.905 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.190 7.092 -8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.889 9.394 -10.777 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.431 10.664 -9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.889 8.734 -6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.431 10.289 -7.384 1.00 0.00 H new ATOM 429 N ILE A 31 -5.074 1.541 -10.705 1.00 0.00 N ATOM 430 CA ILE A 31 -5.696 0.228 -10.702 1.00 0.00 C ATOM 431 C ILE A 31 -6.742 0.165 -9.588 1.00 0.00 C ATOM 432 O ILE A 31 -6.499 0.634 -8.477 1.00 0.00 O ATOM 433 CB ILE A 31 -4.632 -0.868 -10.609 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.808 -0.944 -11.896 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.263 -2.216 -10.252 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.537 -0.100 -11.784 1.00 0.00 C ATOM 0 H ILE A 31 -4.432 1.711 -9.931 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.220 0.053 -11.641 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.946 -0.610 -9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.543 -1.981 -12.102 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.407 -0.595 -12.737 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.485 -2.977 -10.192 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.769 -2.138 -9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.985 -2.494 -11.020 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.970 -0.172 -12.712 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.806 0.941 -11.603 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.928 -0.467 -10.958 1.00 0.00 H new ATOM 448 N LEU A 32 -7.884 -0.416 -9.924 1.00 0.00 N ATOM 449 CA LEU A 32 -8.968 -0.546 -8.966 1.00 0.00 C ATOM 450 C LEU A 32 -9.439 -2.001 -8.928 1.00 0.00 C ATOM 451 O LEU A 32 -9.632 -2.622 -9.972 1.00 0.00 O ATOM 452 CB LEU A 32 -10.084 0.453 -9.280 1.00 0.00 C ATOM 453 CG LEU A 32 -11.327 0.372 -8.392 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.305 -0.683 -8.913 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.942 0.127 -6.932 1.00 0.00 C ATOM 0 H LEU A 32 -8.082 -0.802 -10.847 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.621 -0.297 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.674 1.460 -9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.392 0.310 -10.316 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.840 1.333 -8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.180 -0.720 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.615 -0.423 -9.925 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.818 -1.658 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.844 0.074 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.394 -0.812 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.313 0.945 -6.579 1.00 0.00 H new ATOM 467 N LEU A 33 -9.610 -2.503 -7.714 1.00 0.00 N ATOM 468 CA LEU A 33 -10.055 -3.874 -7.527 1.00 0.00 C ATOM 469 C LEU A 33 -11.380 -3.876 -6.762 1.00 0.00 C ATOM 470 O LEU A 33 -11.599 -3.035 -5.891 1.00 0.00 O ATOM 471 CB LEU A 33 -8.958 -4.706 -6.859 1.00 0.00 C ATOM 472 CG LEU A 33 -7.593 -4.694 -7.550 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.748 -4.698 -9.072 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.743 -3.518 -7.064 1.00 0.00 C ATOM 0 H LEU A 33 -9.449 -1.985 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.242 -4.349 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.829 -4.348 -5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.301 -5.739 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.065 -5.608 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.763 -4.689 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.287 -5.594 -9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.304 -3.814 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.778 -3.533 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.256 -2.582 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.589 -3.600 -5.988 1.00 0.00 H new ATOM 486 N ASN A 34 -12.229 -4.830 -7.114 1.00 0.00 N ATOM 487 CA ASN A 34 -13.526 -4.952 -6.472 1.00 0.00 C ATOM 488 C ASN A 34 -13.596 -6.285 -5.724 1.00 0.00 C ATOM 489 O ASN A 34 -13.196 -7.320 -6.253 1.00 0.00 O ATOM 490 CB ASN A 34 -14.656 -4.929 -7.503 1.00 0.00 C ATOM 491 CG ASN A 34 -16.024 -4.980 -6.820 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.468 -4.033 -6.191 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.665 -6.134 -6.977 1.00 0.00 N ATOM 0 H ASN A 34 -12.044 -5.526 -7.836 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.644 -4.111 -5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.582 -4.026 -8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.552 -5.777 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.586 -6.267 -6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.236 -6.886 -7.516 1.00 0.00 H new ATOM 500 N LYS A 35 -14.109 -6.216 -4.504 1.00 0.00 N ATOM 501 CA LYS A 35 -14.236 -7.404 -3.677 1.00 0.00 C ATOM 502 C LYS A 35 -15.718 -7.748 -3.511 1.00 0.00 C ATOM 503 O LYS A 35 -16.062 -8.878 -3.169 1.00 0.00 O ATOM 504 CB LYS A 35 -13.496 -7.217 -2.351 1.00 0.00 C ATOM 505 CG LYS A 35 -12.221 -6.394 -2.547 1.00 0.00 C ATOM 506 CD LYS A 35 -11.562 -6.077 -1.203 1.00 0.00 C ATOM 507 CE LYS A 35 -10.152 -6.667 -1.132 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.146 -5.590 -0.999 1.00 0.00 N ATOM 0 H LYS A 35 -14.442 -5.356 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.762 -8.257 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.148 -6.719 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.244 -8.191 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.522 -6.943 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.459 -5.466 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.516 -4.997 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.170 -6.479 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.079 -7.348 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.951 -7.252 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.373 -5.911 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.764 -5.354 -1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.593 -4.747 -0.585 1.00 0.00 H new ATOM 522 N ARG A 36 -16.555 -6.752 -3.761 1.00 0.00 N ATOM 523 CA ARG A 36 -17.992 -6.934 -3.644 1.00 0.00 C ATOM 524 C ARG A 36 -18.487 -7.935 -4.690 1.00 0.00 C ATOM 525 O ARG A 36 -18.402 -7.677 -5.890 1.00 0.00 O ATOM 526 CB ARG A 36 -18.732 -5.608 -3.826 1.00 0.00 C ATOM 527 CG ARG A 36 -18.914 -4.893 -2.485 1.00 0.00 C ATOM 528 CD ARG A 36 -19.358 -3.443 -2.693 1.00 0.00 C ATOM 529 NE ARG A 36 -20.800 -3.397 -3.020 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.292 -3.495 -4.262 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.460 -3.644 -5.302 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.616 -3.442 -4.465 1.00 0.00 N ATOM 0 H ARG A 36 -16.265 -5.816 -4.044 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.197 -7.317 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.176 -4.968 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.706 -5.790 -4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.655 -5.421 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.978 -4.914 -1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -19.162 -2.861 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -18.780 -2.989 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.461 -3.284 -2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.452 -3.683 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.834 -3.719 -6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.249 -3.327 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.990 -3.517 -5.411 1.00 0.00 H new ATOM 546 N LEU A 37 -18.994 -9.055 -4.197 1.00 0.00 N ATOM 547 CA LEU A 37 -19.503 -10.096 -5.075 1.00 0.00 C ATOM 548 C LEU A 37 -20.779 -9.600 -5.759 1.00 0.00 C ATOM 549 O LEU A 37 -20.885 -8.425 -6.107 1.00 0.00 O ATOM 550 CB LEU A 37 -19.687 -11.404 -4.304 1.00 0.00 C ATOM 551 CG LEU A 37 -18.541 -11.800 -3.370 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.072 -12.220 -1.998 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.667 -12.884 -4.004 1.00 0.00 C ATOM 0 H LEU A 37 -19.063 -9.265 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.783 -10.316 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.601 -11.329 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.837 -12.209 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.908 -10.926 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.237 -12.496 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.617 -11.390 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.740 -13.074 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.860 -13.147 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.273 -13.767 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.244 -12.511 -4.937 1.00 0.00 H new ATOM 565 N LYS A 38 -21.715 -10.522 -5.932 1.00 0.00 N ATOM 566 CA LYS A 38 -22.979 -10.194 -6.568 1.00 0.00 C ATOM 567 C LYS A 38 -23.835 -9.374 -5.601 1.00 0.00 C ATOM 568 O LYS A 38 -24.371 -8.331 -5.971 1.00 0.00 O ATOM 569 CB LYS A 38 -23.669 -11.462 -7.076 1.00 0.00 C ATOM 570 CG LYS A 38 -24.158 -11.282 -8.515 1.00 0.00 C ATOM 571 CD LYS A 38 -23.301 -12.091 -9.490 1.00 0.00 C ATOM 572 CE LYS A 38 -22.963 -11.269 -10.736 1.00 0.00 C ATOM 573 NZ LYS A 38 -21.500 -11.239 -10.956 1.00 0.00 N ATOM 0 H LYS A 38 -21.623 -11.496 -5.643 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.812 -9.575 -7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.976 -12.302 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -24.512 -11.705 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.198 -11.598 -8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -24.124 -10.227 -8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.381 -12.405 -8.997 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -23.832 -12.997 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.459 -11.697 -11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -23.340 -10.253 -10.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.288 -10.677 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.034 -10.810 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.149 -12.209 -11.086 1.00 0.00 H new ATOM 587 N ASP A 39 -23.937 -9.877 -4.379 1.00 0.00 N ATOM 588 CA ASP A 39 -24.718 -9.204 -3.356 1.00 0.00 C ATOM 589 C ASP A 39 -24.246 -7.754 -3.230 1.00 0.00 C ATOM 590 O ASP A 39 -25.061 -6.840 -3.118 1.00 0.00 O ATOM 591 CB ASP A 39 -24.539 -9.878 -1.994 1.00 0.00 C ATOM 592 CG ASP A 39 -24.845 -11.377 -1.970 1.00 0.00 C ATOM 593 OD1 ASP A 39 -24.148 -12.110 -2.704 1.00 0.00 O ATOM 594 OD2 ASP A 39 -25.768 -11.756 -1.218 1.00 0.00 O ATOM 0 H ASP A 39 -23.492 -10.743 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.767 -9.252 -3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.512 -9.727 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -25.184 -9.379 -1.271 1.00 0.00 H new ATOM 599 N GLY A 40 -22.932 -7.589 -3.254 1.00 0.00 N ATOM 600 CA GLY A 40 -22.341 -6.266 -3.145 1.00 0.00 C ATOM 601 C GLY A 40 -21.968 -5.950 -1.695 1.00 0.00 C ATOM 602 O GLY A 40 -22.225 -4.849 -1.209 1.00 0.00 O ATOM 0 H GLY A 40 -22.259 -8.350 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.453 -6.208 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.043 -5.519 -3.515 1.00 0.00 H new ATOM 606 N SER A 41 -21.368 -6.936 -1.044 1.00 0.00 N ATOM 607 CA SER A 41 -20.956 -6.777 0.340 1.00 0.00 C ATOM 608 C SER A 41 -19.599 -7.447 0.563 1.00 0.00 C ATOM 609 O SER A 41 -19.075 -7.442 1.676 1.00 0.00 O ATOM 610 CB SER A 41 -21.999 -7.361 1.295 1.00 0.00 C ATOM 611 OG SER A 41 -23.209 -6.608 1.290 1.00 0.00 O ATOM 0 H SER A 41 -21.157 -7.848 -1.450 1.00 0.00 H new ATOM 0 HA SER A 41 -20.866 -5.711 0.550 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.212 -8.392 1.012 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.592 -7.386 2.306 1.00 0.00 H new ATOM 0 HG SER A 41 -23.849 -7.014 1.911 1.00 0.00 H new ATOM 617 N VAL A 42 -19.068 -8.007 -0.514 1.00 0.00 N ATOM 618 CA VAL A 42 -17.781 -8.680 -0.450 1.00 0.00 C ATOM 619 C VAL A 42 -17.768 -9.634 0.746 1.00 0.00 C ATOM 620 O VAL A 42 -18.344 -9.334 1.791 1.00 0.00 O ATOM 621 CB VAL A 42 -16.653 -7.648 -0.403 1.00 0.00 C ATOM 622 CG1 VAL A 42 -16.864 -6.656 0.742 1.00 0.00 C ATOM 623 CG2 VAL A 42 -15.289 -8.331 -0.292 1.00 0.00 C ATOM 0 H VAL A 42 -19.505 -8.009 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.619 -9.279 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.672 -7.089 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -16.048 -5.934 0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -17.810 -6.133 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.885 -7.194 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.505 -7.575 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.254 -8.928 0.619 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.135 -8.978 -1.156 1.00 0.00 H new ATOM 633 N PRO A 43 -17.088 -10.795 0.548 1.00 0.00 N ATOM 634 CA PRO A 43 -16.992 -11.795 1.597 1.00 0.00 C ATOM 635 C PRO A 43 -16.003 -11.360 2.681 1.00 0.00 C ATOM 636 O PRO A 43 -15.230 -10.424 2.481 1.00 0.00 O ATOM 637 CB PRO A 43 -16.571 -13.071 0.887 1.00 0.00 C ATOM 638 CG PRO A 43 -15.998 -12.634 -0.451 1.00 0.00 C ATOM 639 CD PRO A 43 -16.394 -11.184 -0.676 1.00 0.00 C ATOM 0 HA PRO A 43 -17.934 -11.941 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.829 -13.616 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -17.421 -13.739 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.913 -12.738 -0.454 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -16.381 -13.263 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -15.520 -10.557 -0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -17.040 -11.081 -1.548 1.00 0.00 H new ATOM 647 N ARG A 44 -16.060 -12.060 3.804 1.00 0.00 N ATOM 648 CA ARG A 44 -15.179 -11.758 4.920 1.00 0.00 C ATOM 649 C ARG A 44 -13.788 -11.377 4.409 1.00 0.00 C ATOM 650 O ARG A 44 -13.239 -10.348 4.802 1.00 0.00 O ATOM 651 CB ARG A 44 -15.058 -12.954 5.866 1.00 0.00 C ATOM 652 CG ARG A 44 -16.187 -12.953 6.898 1.00 0.00 C ATOM 653 CD ARG A 44 -17.151 -14.117 6.657 1.00 0.00 C ATOM 654 NE ARG A 44 -18.454 -13.603 6.180 1.00 0.00 N ATOM 655 CZ ARG A 44 -19.481 -14.383 5.816 1.00 0.00 C ATOM 656 NH1 ARG A 44 -19.363 -15.717 5.874 1.00 0.00 N ATOM 657 NH2 ARG A 44 -20.627 -13.830 5.396 1.00 0.00 N ATOM 0 H ARG A 44 -16.702 -12.836 3.966 1.00 0.00 H new ATOM 0 HA ARG A 44 -15.611 -10.920 5.467 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.086 -13.880 5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.095 -12.923 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.767 -13.025 7.901 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.730 -12.009 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.730 -14.803 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.289 -14.683 7.578 1.00 0.00 H new ATOM 0 HE ARG A 44 -18.578 -12.592 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.491 -16.138 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.145 -16.311 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.718 -12.815 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -21.408 -14.424 5.119 1.00 0.00 H new ATOM 671 N ASP A 45 -13.258 -12.226 3.542 1.00 0.00 N ATOM 672 CA ASP A 45 -11.941 -11.992 2.974 1.00 0.00 C ATOM 673 C ASP A 45 -11.872 -12.620 1.580 1.00 0.00 C ATOM 674 O ASP A 45 -11.890 -13.842 1.445 1.00 0.00 O ATOM 675 CB ASP A 45 -10.848 -12.630 3.834 1.00 0.00 C ATOM 676 CG ASP A 45 -11.002 -14.134 4.063 1.00 0.00 C ATOM 677 OD1 ASP A 45 -12.076 -14.524 4.570 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.042 -14.861 3.727 1.00 0.00 O ATOM 0 H ASP A 45 -13.717 -13.078 3.218 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.781 -10.915 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.882 -12.446 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.830 -12.130 4.802 1.00 0.00 H new ATOM 683 N SER A 46 -11.797 -11.755 0.579 1.00 0.00 N ATOM 684 CA SER A 46 -11.725 -12.209 -0.799 1.00 0.00 C ATOM 685 C SER A 46 -10.431 -11.714 -1.447 1.00 0.00 C ATOM 686 O SER A 46 -10.444 -11.231 -2.578 1.00 0.00 O ATOM 687 CB SER A 46 -12.937 -11.730 -1.600 1.00 0.00 C ATOM 688 OG SER A 46 -13.560 -12.794 -2.315 1.00 0.00 O ATOM 0 H SER A 46 -11.785 -10.742 0.695 1.00 0.00 H new ATOM 0 HA SER A 46 -11.730 -13.299 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.661 -11.275 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.625 -10.956 -2.301 1.00 0.00 H new ATOM 0 HG SER A 46 -14.330 -12.447 -2.812 1.00 0.00 H new ATOM 694 N GLY A 47 -9.344 -11.851 -0.702 1.00 0.00 N ATOM 695 CA GLY A 47 -8.044 -11.423 -1.190 1.00 0.00 C ATOM 696 C GLY A 47 -7.764 -9.969 -0.805 1.00 0.00 C ATOM 697 O GLY A 47 -7.609 -9.112 -1.673 1.00 0.00 O ATOM 0 H GLY A 47 -9.337 -12.252 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.267 -12.068 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.006 -11.529 -2.274 1.00 0.00 H new ATOM 701 N ALA A 48 -7.709 -9.736 0.499 1.00 0.00 N ATOM 702 CA ALA A 48 -7.451 -8.401 1.010 1.00 0.00 C ATOM 703 C ALA A 48 -6.176 -7.851 0.368 1.00 0.00 C ATOM 704 O ALA A 48 -6.057 -6.647 0.149 1.00 0.00 O ATOM 705 CB ALA A 48 -7.362 -8.447 2.537 1.00 0.00 C ATOM 0 H ALA A 48 -7.839 -10.450 1.216 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.267 -7.727 0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.168 -7.445 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.303 -8.816 2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.551 -9.112 2.834 1.00 0.00 H new ATOM 711 N MET A 49 -5.255 -8.760 0.084 1.00 0.00 N ATOM 712 CA MET A 49 -3.993 -8.382 -0.528 1.00 0.00 C ATOM 713 C MET A 49 -4.134 -8.263 -2.047 1.00 0.00 C ATOM 714 O MET A 49 -3.150 -8.041 -2.750 1.00 0.00 O ATOM 715 CB MET A 49 -2.929 -9.429 -0.194 1.00 0.00 C ATOM 716 CG MET A 49 -1.859 -8.847 0.731 1.00 0.00 C ATOM 717 SD MET A 49 -0.305 -8.717 -0.137 1.00 0.00 S ATOM 718 CE MET A 49 -0.280 -6.963 -0.468 1.00 0.00 C ATOM 0 H MET A 49 -5.358 -9.758 0.267 1.00 0.00 H new ATOM 0 HA MET A 49 -3.696 -7.411 -0.132 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.398 -10.290 0.283 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.465 -9.787 -1.113 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.169 -7.864 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.742 -9.482 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.384 -6.761 -1.309 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.287 -6.624 -0.711 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.079 -6.431 0.413 1.00 0.00 H new ATOM 728 N LEU A 50 -5.367 -8.416 -2.508 1.00 0.00 N ATOM 729 CA LEU A 50 -5.650 -8.330 -3.931 1.00 0.00 C ATOM 730 C LEU A 50 -5.031 -9.533 -4.644 1.00 0.00 C ATOM 731 O LEU A 50 -5.738 -10.318 -5.274 1.00 0.00 O ATOM 732 CB LEU A 50 -5.189 -6.981 -4.487 1.00 0.00 C ATOM 733 CG LEU A 50 -5.946 -5.752 -3.979 1.00 0.00 C ATOM 734 CD1 LEU A 50 -7.430 -5.832 -4.344 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.735 -5.561 -2.476 1.00 0.00 C ATOM 0 H LEU A 50 -6.181 -8.599 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.724 -8.373 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.132 -6.855 -4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.272 -7.011 -5.573 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.540 -4.871 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.945 -4.946 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.536 -5.884 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.868 -6.723 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.284 -4.681 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.098 -6.440 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.673 -5.426 -2.272 1.00 0.00 H new ATOM 747 N GLY A 51 -3.716 -9.641 -4.521 1.00 0.00 N ATOM 748 CA GLY A 51 -2.993 -10.736 -5.146 1.00 0.00 C ATOM 749 C GLY A 51 -1.544 -10.340 -5.439 1.00 0.00 C ATOM 750 O GLY A 51 -0.682 -11.202 -5.598 1.00 0.00 O ATOM 0 H GLY A 51 -3.132 -8.988 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.010 -11.608 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.490 -11.023 -6.073 1.00 0.00 H new ATOM 754 N LEU A 52 -1.322 -9.035 -5.500 1.00 0.00 N ATOM 755 CA LEU A 52 0.008 -8.515 -5.770 1.00 0.00 C ATOM 756 C LEU A 52 0.686 -8.148 -4.449 1.00 0.00 C ATOM 757 O LEU A 52 0.014 -7.943 -3.439 1.00 0.00 O ATOM 758 CB LEU A 52 -0.063 -7.357 -6.767 1.00 0.00 C ATOM 759 CG LEU A 52 -0.275 -5.966 -6.166 1.00 0.00 C ATOM 760 CD1 LEU A 52 -1.523 -5.936 -5.281 1.00 0.00 C ATOM 761 CD2 LEU A 52 0.973 -5.498 -5.414 1.00 0.00 C ATOM 0 H LEU A 52 -2.040 -8.323 -5.367 1.00 0.00 H new ATOM 0 HA LEU A 52 0.626 -9.277 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.861 -7.344 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.874 -7.556 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.442 -5.263 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.651 -4.936 -4.866 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.398 -6.196 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.410 -6.654 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.796 -4.507 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.195 -6.197 -4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.818 -5.457 -6.101 1.00 0.00 H new ATOM 773 N LYS A 53 2.008 -8.078 -4.498 1.00 0.00 N ATOM 774 CA LYS A 53 2.784 -7.739 -3.317 1.00 0.00 C ATOM 775 C LYS A 53 3.470 -6.389 -3.533 1.00 0.00 C ATOM 776 O LYS A 53 3.883 -6.069 -4.646 1.00 0.00 O ATOM 777 CB LYS A 53 3.752 -8.872 -2.970 1.00 0.00 C ATOM 778 CG LYS A 53 3.786 -9.120 -1.460 1.00 0.00 C ATOM 779 CD LYS A 53 5.222 -9.088 -0.932 1.00 0.00 C ATOM 780 CE LYS A 53 5.358 -8.095 0.224 1.00 0.00 C ATOM 781 NZ LYS A 53 4.960 -8.728 1.501 1.00 0.00 N ATOM 0 H LYS A 53 2.562 -8.250 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 53 2.132 -7.630 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.450 -9.784 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.752 -8.622 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.190 -8.363 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.334 -10.086 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.513 -10.084 -0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.903 -8.811 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.388 -7.744 0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.735 -7.221 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.058 -8.040 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.970 -9.041 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.571 -9.548 1.687 1.00 0.00 H new ATOM 795 N VAL A 54 3.569 -5.632 -2.450 1.00 0.00 N ATOM 796 CA VAL A 54 4.198 -4.323 -2.506 1.00 0.00 C ATOM 797 C VAL A 54 5.130 -4.158 -1.304 1.00 0.00 C ATOM 798 O VAL A 54 4.785 -4.543 -0.189 1.00 0.00 O ATOM 799 CB VAL A 54 3.128 -3.232 -2.587 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.757 -1.840 -2.500 1.00 0.00 C ATOM 801 CG2 VAL A 54 2.293 -3.377 -3.861 1.00 0.00 C ATOM 0 H VAL A 54 3.224 -5.900 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 54 4.807 -4.230 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 54 2.461 -3.353 -1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.975 -1.083 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.288 -1.739 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.457 -1.705 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.540 -2.590 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.942 -3.295 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.801 -4.350 -3.865 1.00 0.00 H new ATOM 811 N VAL A 55 6.294 -3.584 -1.574 1.00 0.00 N ATOM 812 CA VAL A 55 7.279 -3.363 -0.528 1.00 0.00 C ATOM 813 C VAL A 55 7.463 -1.859 -0.317 1.00 0.00 C ATOM 814 O VAL A 55 7.980 -1.164 -1.191 1.00 0.00 O ATOM 815 CB VAL A 55 8.583 -4.081 -0.878 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.756 -3.508 -0.080 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.455 -5.590 -0.656 1.00 0.00 C ATOM 0 H VAL A 55 6.577 -3.266 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 55 6.935 -3.784 0.416 1.00 0.00 H new ATOM 0 HB VAL A 55 8.784 -3.913 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.671 -4.036 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.869 -2.448 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.565 -3.631 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.396 -6.077 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.219 -5.785 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.659 -5.984 -1.287 1.00 0.00 H new ATOM 827 N GLY A 56 7.030 -1.400 0.848 1.00 0.00 N ATOM 828 CA GLY A 56 7.140 0.009 1.185 1.00 0.00 C ATOM 829 C GLY A 56 8.381 0.273 2.041 1.00 0.00 C ATOM 830 O GLY A 56 9.195 -0.625 2.253 1.00 0.00 O ATOM 0 H GLY A 56 6.602 -1.979 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.191 0.602 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.248 0.329 1.723 1.00 0.00 H new ATOM 834 N GLY A 57 8.486 1.507 2.511 1.00 0.00 N ATOM 835 CA GLY A 57 9.613 1.900 3.339 1.00 0.00 C ATOM 836 C GLY A 57 10.922 1.832 2.551 1.00 0.00 C ATOM 837 O GLY A 57 12.003 1.959 3.124 1.00 0.00 O ATOM 0 H GLY A 57 7.808 2.248 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.460 2.913 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.674 1.247 4.210 1.00 0.00 H new ATOM 841 N LYS A 58 10.783 1.632 1.248 1.00 0.00 N ATOM 842 CA LYS A 58 11.941 1.545 0.376 1.00 0.00 C ATOM 843 C LYS A 58 12.623 2.913 0.304 1.00 0.00 C ATOM 844 O LYS A 58 11.970 3.924 0.050 1.00 0.00 O ATOM 845 CB LYS A 58 11.542 0.985 -0.991 1.00 0.00 C ATOM 846 CG LYS A 58 12.754 0.886 -1.919 1.00 0.00 C ATOM 847 CD LYS A 58 13.201 -0.568 -2.085 1.00 0.00 C ATOM 848 CE LYS A 58 13.806 -1.107 -0.788 1.00 0.00 C ATOM 849 NZ LYS A 58 15.071 -1.824 -1.064 1.00 0.00 N ATOM 0 H LYS A 58 9.885 1.528 0.776 1.00 0.00 H new ATOM 0 HA LYS A 58 12.671 0.844 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.093 -0.001 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.785 1.626 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.506 1.307 -2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.575 1.479 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.349 -1.183 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.934 -0.637 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.991 -0.285 -0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.099 -1.779 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.468 -2.183 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.885 -2.621 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.750 -1.173 -1.507 1.00 0.00 H new ATOM 863 N MET A 59 13.928 2.900 0.532 1.00 0.00 N ATOM 864 CA MET A 59 14.706 4.127 0.497 1.00 0.00 C ATOM 865 C MET A 59 15.285 4.369 -0.898 1.00 0.00 C ATOM 866 O MET A 59 15.996 3.521 -1.435 1.00 0.00 O ATOM 867 CB MET A 59 15.846 4.039 1.514 1.00 0.00 C ATOM 868 CG MET A 59 16.223 5.426 2.037 1.00 0.00 C ATOM 869 SD MET A 59 15.495 5.692 3.645 1.00 0.00 S ATOM 870 CE MET A 59 15.021 7.405 3.492 1.00 0.00 C ATOM 0 H MET A 59 14.466 2.059 0.742 1.00 0.00 H new ATOM 0 HA MET A 59 14.048 4.959 0.747 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.547 3.402 2.346 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.716 3.572 1.051 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.307 5.517 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 59 15.879 6.192 1.342 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.141 7.903 4.454 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.653 7.893 2.750 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.979 7.468 3.178 1.00 0.00 H new ATOM 880 N THR A 60 14.959 5.530 -1.446 1.00 0.00 N ATOM 881 CA THR A 60 15.437 5.895 -2.769 1.00 0.00 C ATOM 882 C THR A 60 16.703 6.748 -2.662 1.00 0.00 C ATOM 883 O THR A 60 17.344 6.785 -1.613 1.00 0.00 O ATOM 884 CB THR A 60 14.295 6.593 -3.509 1.00 0.00 C ATOM 885 OG1 THR A 60 14.225 7.882 -2.905 1.00 0.00 O ATOM 886 CG2 THR A 60 12.932 5.966 -3.208 1.00 0.00 C ATOM 0 H THR A 60 14.369 6.231 -0.998 1.00 0.00 H new ATOM 0 HA THR A 60 15.724 5.014 -3.343 1.00 0.00 H new ATOM 0 HB THR A 60 14.483 6.556 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.544 7.877 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.157 6.499 -3.758 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.938 4.919 -3.512 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.729 6.032 -2.139 1.00 0.00 H new ATOM 894 N GLU A 61 17.025 7.412 -3.762 1.00 0.00 N ATOM 895 CA GLU A 61 18.202 8.262 -3.805 1.00 0.00 C ATOM 896 C GLU A 61 17.862 9.667 -3.303 1.00 0.00 C ATOM 897 O GLU A 61 18.721 10.361 -2.762 1.00 0.00 O ATOM 898 CB GLU A 61 18.791 8.313 -5.217 1.00 0.00 C ATOM 899 CG GLU A 61 19.711 9.523 -5.384 1.00 0.00 C ATOM 900 CD GLU A 61 20.848 9.217 -6.361 1.00 0.00 C ATOM 901 OE1 GLU A 61 21.770 8.481 -5.947 1.00 0.00 O ATOM 902 OE2 GLU A 61 20.770 9.725 -7.500 1.00 0.00 O ATOM 0 H GLU A 61 16.491 7.378 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 61 18.958 7.835 -3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.349 7.398 -5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.985 8.361 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 61 19.135 10.375 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.125 9.806 -4.416 1.00 0.00 H new ATOM 909 N SER A 62 16.607 10.043 -3.500 1.00 0.00 N ATOM 910 CA SER A 62 16.142 11.352 -3.073 1.00 0.00 C ATOM 911 C SER A 62 16.008 11.389 -1.549 1.00 0.00 C ATOM 912 O SER A 62 16.046 12.459 -0.945 1.00 0.00 O ATOM 913 CB SER A 62 14.808 11.704 -3.733 1.00 0.00 C ATOM 914 OG SER A 62 13.720 10.987 -3.155 1.00 0.00 O ATOM 0 H SER A 62 15.898 9.464 -3.950 1.00 0.00 H new ATOM 0 HA SER A 62 16.877 12.095 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.628 12.775 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.862 11.484 -4.799 1.00 0.00 H new ATOM 0 HG SER A 62 13.937 10.032 -3.124 1.00 0.00 H new ATOM 920 N GLY A 63 15.852 10.206 -0.972 1.00 0.00 N ATOM 921 CA GLY A 63 15.711 10.089 0.469 1.00 0.00 C ATOM 922 C GLY A 63 14.259 9.803 0.857 1.00 0.00 C ATOM 923 O GLY A 63 13.983 9.394 1.983 1.00 0.00 O ATOM 0 H GLY A 63 15.820 9.320 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.354 9.289 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.044 11.011 0.946 1.00 0.00 H new ATOM 927 N ARG A 64 13.370 10.030 -0.098 1.00 0.00 N ATOM 928 CA ARG A 64 11.953 9.802 0.129 1.00 0.00 C ATOM 929 C ARG A 64 11.630 8.311 0.011 1.00 0.00 C ATOM 930 O ARG A 64 12.197 7.615 -0.830 1.00 0.00 O ATOM 931 CB ARG A 64 11.101 10.583 -0.873 1.00 0.00 C ATOM 932 CG ARG A 64 11.229 12.090 -0.645 1.00 0.00 C ATOM 933 CD ARG A 64 10.186 12.859 -1.459 1.00 0.00 C ATOM 934 NE ARG A 64 10.793 14.080 -2.034 1.00 0.00 N ATOM 935 CZ ARG A 64 11.577 14.090 -3.121 1.00 0.00 C ATOM 936 NH1 ARG A 64 11.854 12.944 -3.757 1.00 0.00 N ATOM 937 NH2 ARG A 64 12.084 15.246 -3.571 1.00 0.00 N ATOM 0 H ARG A 64 13.603 10.370 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 64 11.718 10.150 1.135 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.412 10.338 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.057 10.285 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 64 11.105 12.313 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.229 12.420 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.796 12.226 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.342 13.127 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 64 10.603 14.970 -1.574 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.468 12.064 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.451 12.951 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.873 16.118 -3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.681 15.254 -4.398 1.00 0.00 H new ATOM 951 N LEU A 65 10.720 7.866 0.864 1.00 0.00 N ATOM 952 CA LEU A 65 10.314 6.471 0.866 1.00 0.00 C ATOM 953 C LEU A 65 9.133 6.286 -0.090 1.00 0.00 C ATOM 954 O LEU A 65 8.321 7.194 -0.261 1.00 0.00 O ATOM 955 CB LEU A 65 10.031 5.996 2.293 1.00 0.00 C ATOM 956 CG LEU A 65 11.200 6.088 3.275 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.701 6.113 4.721 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.207 4.962 3.035 1.00 0.00 C ATOM 0 H LEU A 65 10.252 8.447 1.559 1.00 0.00 H new ATOM 0 HA LEU A 65 11.123 5.839 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.201 6.580 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.699 4.959 2.250 1.00 0.00 H new ATOM 0 HG LEU A 65 11.721 7.029 3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.552 6.179 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.053 6.977 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.142 5.201 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.028 5.051 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.714 3.999 3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.597 5.033 2.020 1.00 0.00 H new ATOM 970 N CYS A 66 9.075 5.105 -0.687 1.00 0.00 N ATOM 971 CA CYS A 66 8.008 4.790 -1.620 1.00 0.00 C ATOM 972 C CYS A 66 7.819 3.271 -1.640 1.00 0.00 C ATOM 973 O CYS A 66 8.683 2.529 -1.175 1.00 0.00 O ATOM 974 CB CYS A 66 8.294 5.347 -3.016 1.00 0.00 C ATOM 975 SG CYS A 66 6.805 6.184 -3.673 1.00 0.00 S ATOM 0 H CYS A 66 9.750 4.354 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 66 7.084 5.266 -1.292 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.127 6.049 -2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.592 4.540 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 66 7.164 7.146 -4.470 1.00 0.00 H new ATOM 981 N ALA A 67 6.684 2.855 -2.182 1.00 0.00 N ATOM 982 CA ALA A 67 6.371 1.439 -2.268 1.00 0.00 C ATOM 983 C ALA A 67 6.430 0.996 -3.731 1.00 0.00 C ATOM 984 O ALA A 67 6.070 1.756 -4.628 1.00 0.00 O ATOM 985 CB ALA A 67 5.002 1.179 -1.635 1.00 0.00 C ATOM 0 H ALA A 67 5.970 3.474 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 67 7.103 0.850 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.767 0.117 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.021 1.483 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.241 1.752 -2.165 1.00 0.00 H new ATOM 991 N PHE A 68 6.887 -0.233 -3.926 1.00 0.00 N ATOM 992 CA PHE A 68 6.998 -0.786 -5.265 1.00 0.00 C ATOM 993 C PHE A 68 6.579 -2.257 -5.286 1.00 0.00 C ATOM 994 O PHE A 68 6.746 -2.969 -4.297 1.00 0.00 O ATOM 995 CB PHE A 68 8.469 -0.681 -5.672 1.00 0.00 C ATOM 996 CG PHE A 68 9.067 0.715 -5.488 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.638 1.060 -4.303 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.027 1.612 -6.510 1.00 0.00 C ATOM 999 CE1 PHE A 68 10.193 2.356 -4.133 1.00 0.00 C ATOM 1000 CE2 PHE A 68 9.582 2.908 -6.340 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.153 3.253 -5.155 1.00 0.00 C ATOM 0 H PHE A 68 7.184 -0.861 -3.179 1.00 0.00 H new ATOM 0 HA PHE A 68 6.347 -0.240 -5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.049 -1.394 -5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.568 -0.973 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.669 0.348 -3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.573 1.338 -7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.647 2.630 -3.192 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.551 3.620 -7.152 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.575 4.239 -5.025 1.00 0.00 H new ATOM 1011 N ILE A 69 6.042 -2.670 -6.425 1.00 0.00 N ATOM 1012 CA ILE A 69 5.598 -4.044 -6.589 1.00 0.00 C ATOM 1013 C ILE A 69 6.816 -4.968 -6.625 1.00 0.00 C ATOM 1014 O ILE A 69 7.839 -4.630 -7.218 1.00 0.00 O ATOM 1015 CB ILE A 69 4.692 -4.172 -7.815 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.456 -3.280 -7.679 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.319 -5.633 -8.071 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.661 -3.242 -8.986 1.00 0.00 C ATOM 0 H ILE A 69 5.904 -2.077 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 69 4.989 -4.352 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 69 5.246 -3.824 -8.687 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.822 -3.651 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.760 -2.270 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.675 -5.696 -8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.224 -6.215 -8.244 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.792 -6.031 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.788 -2.601 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.291 -2.847 -9.783 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.337 -4.250 -9.244 1.00 0.00 H new ATOM 1030 N THR A 70 6.667 -6.118 -5.983 1.00 0.00 N ATOM 1031 CA THR A 70 7.742 -7.093 -5.935 1.00 0.00 C ATOM 1032 C THR A 70 7.325 -8.383 -6.645 1.00 0.00 C ATOM 1033 O THR A 70 8.152 -9.051 -7.263 1.00 0.00 O ATOM 1034 CB THR A 70 8.124 -7.303 -4.469 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.885 -7.585 -3.824 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.609 -6.016 -3.799 1.00 0.00 C ATOM 0 H THR A 70 5.817 -6.396 -5.492 1.00 0.00 H new ATOM 0 HA THR A 70 8.623 -6.736 -6.468 1.00 0.00 H new ATOM 0 HB THR A 70 8.904 -8.062 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.921 -7.274 -2.895 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.867 -6.222 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.488 -5.641 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.818 -5.267 -3.835 1.00 0.00 H new ATOM 1044 N LYS A 71 6.042 -8.694 -6.533 1.00 0.00 N ATOM 1045 CA LYS A 71 5.505 -9.891 -7.156 1.00 0.00 C ATOM 1046 C LYS A 71 3.987 -9.753 -7.293 1.00 0.00 C ATOM 1047 O LYS A 71 3.328 -9.203 -6.412 1.00 0.00 O ATOM 1048 CB LYS A 71 5.941 -11.139 -6.385 1.00 0.00 C ATOM 1049 CG LYS A 71 5.356 -12.405 -7.014 1.00 0.00 C ATOM 1050 CD LYS A 71 6.450 -13.442 -7.276 1.00 0.00 C ATOM 1051 CE LYS A 71 6.906 -13.400 -8.736 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.830 -14.520 -9.022 1.00 0.00 N ATOM 0 H LYS A 71 5.359 -8.137 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 71 5.907 -10.009 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.029 -11.203 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.617 -11.061 -5.347 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.600 -12.828 -6.353 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.857 -12.153 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.300 -13.253 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.077 -14.438 -7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.040 -13.458 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.401 -12.451 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.130 -14.477 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.664 -14.448 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.346 -15.423 -8.845 1.00 0.00 H new ATOM 1066 N VAL A 72 3.476 -10.261 -8.405 1.00 0.00 N ATOM 1067 CA VAL A 72 2.049 -10.201 -8.669 1.00 0.00 C ATOM 1068 C VAL A 72 1.580 -11.548 -9.222 1.00 0.00 C ATOM 1069 O VAL A 72 1.950 -11.931 -10.331 1.00 0.00 O ATOM 1070 CB VAL A 72 1.739 -9.030 -9.604 1.00 0.00 C ATOM 1071 CG1 VAL A 72 2.884 -8.798 -10.591 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.416 -9.252 -10.340 1.00 0.00 C ATOM 0 H VAL A 72 4.026 -10.716 -9.134 1.00 0.00 H new ATOM 0 HA VAL A 72 1.497 -10.018 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 72 1.637 -8.132 -8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.638 -7.960 -11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.798 -8.573 -10.041 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.033 -9.695 -11.192 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.219 -8.406 -10.998 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.478 -10.165 -10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.393 -9.344 -9.615 1.00 0.00 H new ATOM 1082 N LYS A 73 0.771 -12.230 -8.424 1.00 0.00 N ATOM 1083 CA LYS A 73 0.248 -13.526 -8.820 1.00 0.00 C ATOM 1084 C LYS A 73 -0.473 -13.392 -10.163 1.00 0.00 C ATOM 1085 O LYS A 73 -1.042 -12.343 -10.464 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.626 -14.113 -7.709 1.00 0.00 C ATOM 1087 CG LYS A 73 -0.932 -15.589 -7.974 1.00 0.00 C ATOM 1088 CD LYS A 73 0.284 -16.464 -7.664 1.00 0.00 C ATOM 1089 CE LYS A 73 0.471 -16.628 -6.155 1.00 0.00 C ATOM 1090 NZ LYS A 73 1.418 -17.729 -5.866 1.00 0.00 N ATOM 0 H LYS A 73 0.465 -11.909 -7.505 1.00 0.00 H new ATOM 0 HA LYS A 73 1.061 -14.237 -8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.119 -14.010 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.558 -13.552 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.777 -15.905 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.225 -15.722 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.160 -17.443 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.178 -16.017 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.844 -15.698 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.490 -16.834 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.533 -17.827 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.047 -18.618 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.339 -17.517 -6.299 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.425 -14.468 -10.934 1.00 0.00 N ATOM 1105 CA LYS A 74 -1.066 -14.483 -12.238 1.00 0.00 C ATOM 1106 C LYS A 74 -2.458 -15.105 -12.110 1.00 0.00 C ATOM 1107 O LYS A 74 -2.586 -16.308 -11.888 1.00 0.00 O ATOM 1108 CB LYS A 74 -0.173 -15.181 -13.266 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.984 -15.625 -14.485 1.00 0.00 C ATOM 1110 CD LYS A 74 -1.115 -17.149 -14.531 1.00 0.00 C ATOM 1111 CE LYS A 74 -0.556 -17.708 -15.841 1.00 0.00 C ATOM 1112 NZ LYS A 74 -1.555 -17.581 -16.926 1.00 0.00 N ATOM 0 H LYS A 74 0.048 -15.336 -10.681 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.203 -13.466 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.622 -14.505 -13.580 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.306 -16.047 -12.809 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.975 -15.172 -14.452 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.502 -15.270 -15.396 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.583 -17.589 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.163 -17.431 -14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.354 -17.174 -16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.284 -18.755 -15.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.160 -17.965 -17.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.413 -18.111 -16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.795 -16.578 -17.062 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.466 -14.257 -12.255 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.844 -14.708 -12.158 1.00 0.00 C ATOM 1128 C GLY A 75 -5.534 -14.103 -10.935 1.00 0.00 C ATOM 1129 O GLY A 75 -6.528 -14.640 -10.449 1.00 0.00 O ATOM 0 H GLY A 75 -3.356 -13.260 -12.439 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.386 -14.428 -13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.871 -15.796 -12.094 1.00 0.00 H new ATOM 1133 N SER A 76 -4.980 -12.992 -10.471 1.00 0.00 N ATOM 1134 CA SER A 76 -5.530 -12.307 -9.314 1.00 0.00 C ATOM 1135 C SER A 76 -5.988 -10.901 -9.706 1.00 0.00 C ATOM 1136 O SER A 76 -5.640 -10.408 -10.778 1.00 0.00 O ATOM 1137 CB SER A 76 -4.507 -12.235 -8.179 1.00 0.00 C ATOM 1138 OG SER A 76 -4.847 -13.099 -7.098 1.00 0.00 O ATOM 0 H SER A 76 -4.155 -12.549 -10.876 1.00 0.00 H new ATOM 0 HA SER A 76 -6.389 -12.875 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.522 -12.503 -8.561 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.440 -11.209 -7.816 1.00 0.00 H new ATOM 0 HG SER A 76 -4.096 -13.148 -6.470 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.760 -10.295 -8.816 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.269 -8.955 -9.056 1.00 0.00 C ATOM 1146 C LEU A 77 -6.151 -8.086 -9.637 1.00 0.00 C ATOM 1147 O LEU A 77 -6.275 -7.567 -10.745 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.893 -8.383 -7.782 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.303 -8.874 -7.447 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.252 -8.664 -8.629 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.280 -10.332 -6.983 1.00 0.00 C ATOM 0 H LEU A 77 -7.045 -10.707 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.071 -8.979 -9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.239 -8.619 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.919 -7.297 -7.870 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.684 -8.278 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.247 -9.021 -8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.300 -7.603 -8.873 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.885 -9.218 -9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.295 -10.656 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.871 -10.959 -7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.658 -10.420 -6.092 1.00 0.00 H new ATOM 1163 N ALA A 78 -5.084 -7.955 -8.862 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.945 -7.158 -9.286 1.00 0.00 C ATOM 1165 C ALA A 78 -3.162 -7.923 -10.354 1.00 0.00 C ATOM 1166 O ALA A 78 -1.971 -8.183 -10.188 1.00 0.00 O ATOM 1167 CB ALA A 78 -3.085 -6.810 -8.069 1.00 0.00 C ATOM 0 H ALA A 78 -4.984 -8.387 -7.943 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.277 -6.220 -9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.231 -6.212 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.680 -6.242 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.731 -7.728 -7.599 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.862 -8.262 -11.427 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.247 -8.992 -12.522 1.00 0.00 C ATOM 1175 C ASP A 79 -4.290 -9.239 -13.614 1.00 0.00 C ATOM 1176 O ASP A 79 -4.053 -8.938 -14.783 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.723 -10.351 -12.053 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.730 -11.024 -13.002 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.530 -10.687 -12.901 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -2.193 -11.860 -13.808 1.00 0.00 O ATOM 0 H ASP A 79 -4.849 -8.044 -11.561 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.416 -8.396 -12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.245 -10.224 -11.082 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.571 -11.019 -11.905 1.00 0.00 H new ATOM 1185 N THR A 80 -5.422 -9.785 -13.194 1.00 0.00 N ATOM 1186 CA THR A 80 -6.502 -10.076 -14.122 1.00 0.00 C ATOM 1187 C THR A 80 -7.237 -8.790 -14.505 1.00 0.00 C ATOM 1188 O THR A 80 -7.696 -8.647 -15.636 1.00 0.00 O ATOM 1189 CB THR A 80 -7.409 -11.125 -13.477 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.755 -10.557 -12.216 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.657 -12.407 -13.114 1.00 0.00 C ATOM 0 H THR A 80 -5.615 -10.033 -12.224 1.00 0.00 H new ATOM 0 HA THR A 80 -6.121 -10.486 -15.057 1.00 0.00 H new ATOM 0 HB THR A 80 -8.227 -11.364 -14.157 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.344 -11.172 -11.731 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.347 -13.118 -12.660 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.227 -12.844 -14.015 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.860 -12.174 -12.408 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.324 -7.886 -13.539 1.00 0.00 N ATOM 1200 CA VAL A 81 -7.995 -6.617 -13.761 1.00 0.00 C ATOM 1201 C VAL A 81 -6.975 -5.481 -13.663 1.00 0.00 C ATOM 1202 O VAL A 81 -7.040 -4.516 -14.423 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.159 -6.461 -12.780 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.329 -7.367 -13.169 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.706 -6.736 -11.345 1.00 0.00 C ATOM 0 H VAL A 81 -6.941 -8.008 -12.602 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.424 -6.583 -14.762 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.504 -5.428 -12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.143 -7.237 -12.456 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.676 -7.104 -14.168 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.002 -8.407 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.552 -6.618 -10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.322 -7.754 -11.273 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.921 -6.032 -11.070 1.00 0.00 H new ATOM 1215 N GLY A 82 -6.056 -5.634 -12.721 1.00 0.00 N ATOM 1216 CA GLY A 82 -5.023 -4.634 -12.514 1.00 0.00 C ATOM 1217 C GLY A 82 -3.881 -4.807 -13.518 1.00 0.00 C ATOM 1218 O GLY A 82 -3.248 -3.832 -13.919 1.00 0.00 O ATOM 0 H GLY A 82 -6.005 -6.436 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.452 -3.637 -12.614 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.634 -4.713 -11.499 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.653 -6.057 -13.896 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.600 -6.371 -14.845 1.00 0.00 C ATOM 1224 C HIS A 83 -1.306 -5.670 -14.427 1.00 0.00 C ATOM 1225 O HIS A 83 -0.527 -5.238 -15.275 1.00 0.00 O ATOM 1226 CB HIS A 83 -3.030 -6.019 -16.271 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.280 -6.732 -16.729 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.261 -8.009 -17.262 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.585 -6.335 -16.726 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.504 -8.354 -17.565 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.323 -7.315 -17.232 1.00 0.00 N ATOM 0 H HIS A 83 -4.180 -6.864 -13.562 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.410 -7.444 -14.839 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.193 -4.943 -16.335 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.216 -6.259 -16.955 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.955 -5.384 -16.372 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.814 -9.293 -17.999 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.336 -7.295 -17.352 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.117 -5.578 -13.119 1.00 0.00 N ATOM 1240 CA LEU A 84 0.069 -4.937 -12.577 1.00 0.00 C ATOM 1241 C LEU A 84 1.302 -5.773 -12.929 1.00 0.00 C ATOM 1242 O LEU A 84 1.202 -6.752 -13.666 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.095 -4.685 -11.077 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.173 -3.673 -10.681 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.828 -4.061 -9.354 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.604 -2.253 -10.645 1.00 0.00 C ATOM 0 H LEU A 84 -1.766 -5.937 -12.418 1.00 0.00 H new ATOM 0 HA LEU A 84 0.210 -3.955 -13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.320 -5.635 -10.592 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.860 -4.343 -10.680 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.953 -3.689 -11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.590 -3.326 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.290 -5.044 -9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.072 -4.090 -8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.390 -1.553 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.206 -2.204 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.222 -1.989 -11.631 1.00 0.00 H new ATOM 1258 N ARG A 85 2.435 -5.356 -12.384 1.00 0.00 N ATOM 1259 CA ARG A 85 3.685 -6.054 -12.631 1.00 0.00 C ATOM 1260 C ARG A 85 4.696 -5.739 -11.526 1.00 0.00 C ATOM 1261 O ARG A 85 4.660 -4.661 -10.935 1.00 0.00 O ATOM 1262 CB ARG A 85 4.279 -5.658 -13.984 1.00 0.00 C ATOM 1263 CG ARG A 85 3.592 -6.409 -15.126 1.00 0.00 C ATOM 1264 CD ARG A 85 3.607 -7.919 -14.877 1.00 0.00 C ATOM 1265 NE ARG A 85 3.486 -8.645 -16.160 1.00 0.00 N ATOM 1266 CZ ARG A 85 3.633 -9.971 -16.290 1.00 0.00 C ATOM 1267 NH1 ARG A 85 3.908 -10.723 -15.216 1.00 0.00 N ATOM 1268 NH2 ARG A 85 3.505 -10.544 -17.494 1.00 0.00 N ATOM 0 H ARG A 85 2.514 -4.544 -11.772 1.00 0.00 H new ATOM 0 HA ARG A 85 3.472 -7.123 -12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.169 -4.584 -14.133 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.347 -5.874 -13.993 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.563 -6.064 -15.226 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.096 -6.187 -16.067 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.531 -8.204 -14.374 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.786 -8.195 -14.215 1.00 0.00 H new ATOM 0 HE ARG A 85 3.278 -8.103 -16.998 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.006 -10.287 -14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.020 -11.732 -15.315 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.296 -9.971 -18.312 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.617 -11.553 -17.593 1.00 0.00 H new ATOM 1282 N PRO A 86 5.598 -6.726 -11.275 1.00 0.00 N ATOM 1283 CA PRO A 86 6.617 -6.565 -10.251 1.00 0.00 C ATOM 1284 C PRO A 86 7.726 -5.625 -10.726 1.00 0.00 C ATOM 1285 O PRO A 86 8.721 -6.070 -11.296 1.00 0.00 O ATOM 1286 CB PRO A 86 7.113 -7.973 -9.966 1.00 0.00 C ATOM 1287 CG PRO A 86 6.691 -8.814 -11.160 1.00 0.00 C ATOM 1288 CD PRO A 86 5.671 -8.016 -11.955 1.00 0.00 C ATOM 0 HA PRO A 86 6.232 -6.101 -9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.196 -7.988 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.680 -8.360 -9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.554 -9.056 -11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.262 -9.759 -10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.982 -7.899 -12.993 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.701 -8.513 -11.966 1.00 0.00 H new ATOM 1296 N GLY A 87 7.519 -4.341 -10.472 1.00 0.00 N ATOM 1297 CA GLY A 87 8.489 -3.334 -10.866 1.00 0.00 C ATOM 1298 C GLY A 87 7.814 -1.978 -11.086 1.00 0.00 C ATOM 1299 O GLY A 87 8.117 -1.280 -12.052 1.00 0.00 O ATOM 0 H GLY A 87 6.693 -3.975 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.256 -3.242 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.992 -3.647 -11.781 1.00 0.00 H new ATOM 1303 N ASP A 88 6.911 -1.648 -10.174 1.00 0.00 N ATOM 1304 CA ASP A 88 6.191 -0.389 -10.257 1.00 0.00 C ATOM 1305 C ASP A 88 6.334 0.364 -8.932 1.00 0.00 C ATOM 1306 O ASP A 88 7.009 -0.106 -8.017 1.00 0.00 O ATOM 1307 CB ASP A 88 4.700 -0.622 -10.509 1.00 0.00 C ATOM 1308 CG ASP A 88 4.110 0.168 -11.678 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.911 0.585 -12.543 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.872 0.337 -11.682 1.00 0.00 O ATOM 0 H ASP A 88 6.662 -2.230 -9.375 1.00 0.00 H new ATOM 0 HA ASP A 88 6.611 0.185 -11.083 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.540 -1.685 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.150 -0.367 -9.603 1.00 0.00 H new ATOM 1315 N GLU A 89 5.688 1.519 -8.871 1.00 0.00 N ATOM 1316 CA GLU A 89 5.735 2.341 -7.674 1.00 0.00 C ATOM 1317 C GLU A 89 4.334 2.845 -7.321 1.00 0.00 C ATOM 1318 O GLU A 89 3.810 3.744 -7.977 1.00 0.00 O ATOM 1319 CB GLU A 89 6.710 3.507 -7.847 1.00 0.00 C ATOM 1320 CG GLU A 89 6.853 4.300 -6.546 1.00 0.00 C ATOM 1321 CD GLU A 89 7.858 5.442 -6.708 1.00 0.00 C ATOM 1322 OE1 GLU A 89 7.769 6.133 -7.746 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.692 5.598 -5.791 1.00 0.00 O ATOM 0 H GLU A 89 5.129 1.905 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 89 6.098 1.727 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.684 3.128 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.358 4.165 -8.641 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.883 4.703 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.178 3.636 -5.745 1.00 0.00 H new ATOM 1330 N VAL A 90 3.767 2.244 -6.286 1.00 0.00 N ATOM 1331 CA VAL A 90 2.437 2.620 -5.838 1.00 0.00 C ATOM 1332 C VAL A 90 2.519 3.935 -5.060 1.00 0.00 C ATOM 1333 O VAL A 90 3.193 4.012 -4.034 1.00 0.00 O ATOM 1334 CB VAL A 90 1.816 1.482 -5.025 1.00 0.00 C ATOM 1335 CG1 VAL A 90 0.299 1.650 -4.916 1.00 0.00 C ATOM 1336 CG2 VAL A 90 2.176 0.121 -5.625 1.00 0.00 C ATOM 0 H VAL A 90 4.204 1.499 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 90 1.780 2.787 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 90 2.230 1.524 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.117 0.828 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.072 2.595 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.140 1.646 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.723 -0.671 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.803 0.064 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.259 -0.001 -5.626 1.00 0.00 H new ATOM 1346 N LEU A 91 1.823 4.937 -5.577 1.00 0.00 N ATOM 1347 CA LEU A 91 1.809 6.244 -4.944 1.00 0.00 C ATOM 1348 C LEU A 91 0.807 6.235 -3.787 1.00 0.00 C ATOM 1349 O LEU A 91 1.163 6.544 -2.651 1.00 0.00 O ATOM 1350 CB LEU A 91 1.542 7.339 -5.979 1.00 0.00 C ATOM 1351 CG LEU A 91 2.589 7.485 -7.085 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.182 8.568 -8.086 1.00 0.00 C ATOM 1353 CD2 LEU A 91 3.977 7.743 -6.495 1.00 0.00 C ATOM 0 H LEU A 91 1.264 4.869 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 91 2.787 6.471 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.576 7.144 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.458 8.292 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 91 2.641 6.544 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.943 8.651 -8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.228 8.303 -8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.084 9.523 -7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.703 7.843 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.958 8.661 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.261 6.909 -5.853 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.425 5.877 -4.117 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.481 5.823 -3.120 1.00 0.00 C ATOM 1367 C GLU A 92 -2.140 4.442 -3.118 1.00 0.00 C ATOM 1368 O GLU A 92 -2.025 3.695 -4.088 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.516 6.924 -3.357 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.878 8.310 -3.244 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.702 9.356 -3.997 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.921 9.419 -3.730 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -2.093 10.070 -4.823 1.00 0.00 O ATOM 0 H GLU A 92 -0.716 5.621 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.036 5.993 -2.139 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.960 6.804 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.324 6.831 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.797 8.592 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.865 8.282 -3.646 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.815 4.146 -2.018 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.493 2.868 -1.877 1.00 0.00 C ATOM 1382 C TRP A 93 -4.872 3.128 -1.268 1.00 0.00 C ATOM 1383 O TRP A 93 -5.018 3.171 -0.048 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.652 1.889 -1.056 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.354 0.563 -0.757 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.315 0.323 0.146 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -3.111 -0.704 -1.405 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.707 -1.000 0.128 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.951 -1.644 -0.845 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -2.210 -1.043 -2.430 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.974 -2.986 -1.245 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -2.246 -2.388 -2.818 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -3.086 -3.347 -2.264 1.00 0.00 C ATOM 0 H TRP A 93 -2.907 4.769 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.626 2.393 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.725 1.685 -1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.378 2.363 -0.114 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.730 1.071 0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.420 -1.427 0.720 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.543 -0.323 -2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.641 -3.704 -0.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.574 -2.702 -3.603 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.053 -4.367 -2.619 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.849 3.296 -2.147 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.212 3.551 -1.711 1.00 0.00 C ATOM 1406 C ASN A 94 -7.307 4.973 -1.155 1.00 0.00 C ATOM 1407 O ASN A 94 -8.183 5.269 -0.343 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.626 2.581 -0.603 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.846 1.758 -1.022 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.657 2.172 -1.834 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.929 0.572 -0.426 1.00 0.00 N ATOM 0 H ASN A 94 -5.724 3.261 -3.159 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.871 3.420 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.796 1.914 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.853 3.138 0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.706 -0.053 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.215 0.287 0.245 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.393 5.816 -1.614 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.363 7.200 -1.172 1.00 0.00 C ATOM 1420 C GLY A 95 -5.212 7.438 -0.193 1.00 0.00 C ATOM 1421 O GLY A 95 -4.840 8.581 0.068 1.00 0.00 O ATOM 0 H GLY A 95 -5.668 5.567 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.254 7.858 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.310 7.454 -0.695 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.680 6.340 0.323 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.578 6.415 1.268 1.00 0.00 C ATOM 1427 C ARG A 96 -2.249 6.552 0.524 1.00 0.00 C ATOM 1428 O ARG A 96 -1.821 5.628 -0.166 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.531 5.171 2.158 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.291 5.404 3.466 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.325 5.651 4.626 1.00 0.00 C ATOM 1432 NE ARG A 96 -3.527 7.011 5.172 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.566 7.364 5.941 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.503 6.461 6.258 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -4.668 8.622 6.392 1.00 0.00 N ATOM 0 H ARG A 96 -4.991 5.393 0.105 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.738 7.292 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.964 4.323 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.494 4.914 2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.958 6.259 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.916 4.539 3.687 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.485 4.909 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.296 5.537 4.284 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.832 7.724 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.426 5.504 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.294 6.730 6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.955 9.310 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.459 8.891 6.977 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.632 7.713 0.689 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.359 7.983 0.041 1.00 0.00 C ATOM 1451 C LEU A 97 0.727 7.114 0.678 1.00 0.00 C ATOM 1452 O LEU A 97 0.835 7.048 1.902 1.00 0.00 O ATOM 1453 CB LEU A 97 -0.048 9.480 0.075 1.00 0.00 C ATOM 1454 CG LEU A 97 1.264 9.908 -0.585 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.001 10.756 -1.831 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.173 10.626 0.415 1.00 0.00 C ATOM 0 H LEU A 97 -1.990 8.477 1.262 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.404 7.714 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.866 10.012 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.031 9.804 1.116 1.00 0.00 H new ATOM 0 HG LEU A 97 1.790 9.011 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.951 11.047 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.422 10.177 -2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.443 11.650 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.099 10.919 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.667 11.514 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.402 9.957 1.244 1.00 0.00 H new ATOM 1468 N LEU A 98 1.504 6.470 -0.180 1.00 0.00 N ATOM 1469 CA LEU A 98 2.578 5.609 0.284 1.00 0.00 C ATOM 1470 C LEU A 98 3.887 6.400 0.306 1.00 0.00 C ATOM 1471 O LEU A 98 4.815 6.053 1.036 1.00 0.00 O ATOM 1472 CB LEU A 98 2.644 4.333 -0.559 1.00 0.00 C ATOM 1473 CG LEU A 98 1.323 3.586 -0.749 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.554 2.220 -1.398 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.562 3.471 0.573 1.00 0.00 C ATOM 0 H LEU A 98 1.411 6.527 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 98 2.388 5.279 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.037 4.591 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.360 3.653 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 98 0.699 4.165 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.599 1.710 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.022 2.355 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.206 1.621 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.373 2.936 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.169 2.927 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.347 4.468 0.957 1.00 0.00 H new ATOM 1487 N GLN A 99 3.922 7.448 -0.503 1.00 0.00 N ATOM 1488 CA GLN A 99 5.102 8.292 -0.586 1.00 0.00 C ATOM 1489 C GLN A 99 5.505 8.778 0.807 1.00 0.00 C ATOM 1490 O GLN A 99 4.765 9.524 1.447 1.00 0.00 O ATOM 1491 CB GLN A 99 4.868 9.471 -1.532 1.00 0.00 C ATOM 1492 CG GLN A 99 5.436 9.179 -2.923 1.00 0.00 C ATOM 1493 CD GLN A 99 5.672 10.474 -3.702 1.00 0.00 C ATOM 1494 OE1 GLN A 99 5.359 11.565 -3.253 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.238 10.295 -4.892 1.00 0.00 N ATOM 0 H GLN A 99 3.151 7.732 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 99 5.921 7.699 -0.994 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.800 9.675 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.336 10.367 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.374 8.631 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.747 8.539 -3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.475 9.354 -5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.435 11.098 -5.489 1.00 0.00 H new ATOM 1504 N GLY A 100 6.679 8.337 1.237 1.00 0.00 N ATOM 1505 CA GLY A 100 7.189 8.719 2.543 1.00 0.00 C ATOM 1506 C GLY A 100 6.847 7.662 3.595 1.00 0.00 C ATOM 1507 O GLY A 100 7.607 7.453 4.539 1.00 0.00 O ATOM 0 H GLY A 100 7.291 7.719 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.270 8.850 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.765 9.680 2.836 1.00 0.00 H new ATOM 1511 N ALA A 101 5.703 7.025 3.397 1.00 0.00 N ATOM 1512 CA ALA A 101 5.251 5.995 4.318 1.00 0.00 C ATOM 1513 C ALA A 101 6.350 4.942 4.478 1.00 0.00 C ATOM 1514 O ALA A 101 7.036 4.605 3.514 1.00 0.00 O ATOM 1515 CB ALA A 101 3.939 5.395 3.808 1.00 0.00 C ATOM 0 H ALA A 101 5.075 7.202 2.613 1.00 0.00 H new ATOM 0 HA ALA A 101 5.055 6.419 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.600 4.623 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.183 6.178 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.098 4.957 2.823 1.00 0.00 H new ATOM 1521 N THR A 102 6.482 4.453 5.702 1.00 0.00 N ATOM 1522 CA THR A 102 7.486 3.446 6.001 1.00 0.00 C ATOM 1523 C THR A 102 7.027 2.073 5.507 1.00 0.00 C ATOM 1524 O THR A 102 5.919 1.933 4.992 1.00 0.00 O ATOM 1525 CB THR A 102 7.766 3.489 7.504 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.667 2.790 8.082 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.653 4.901 8.081 1.00 0.00 C ATOM 0 H THR A 102 5.911 4.735 6.498 1.00 0.00 H new ATOM 0 HA THR A 102 8.419 3.650 5.476 1.00 0.00 H new ATOM 0 HB THR A 102 8.764 3.096 7.698 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.769 2.769 9.056 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.861 4.875 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.372 5.554 7.587 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.645 5.282 7.917 1.00 0.00 H new ATOM 1535 N PHE A 103 7.903 1.094 5.681 1.00 0.00 N ATOM 1536 CA PHE A 103 7.601 -0.264 5.259 1.00 0.00 C ATOM 1537 C PHE A 103 6.360 -0.798 5.977 1.00 0.00 C ATOM 1538 O PHE A 103 5.495 -1.413 5.354 1.00 0.00 O ATOM 1539 CB PHE A 103 8.806 -1.128 5.638 1.00 0.00 C ATOM 1540 CG PHE A 103 8.578 -2.629 5.451 1.00 0.00 C ATOM 1541 CD1 PHE A 103 7.895 -3.336 6.391 1.00 0.00 C ATOM 1542 CD2 PHE A 103 9.058 -3.257 4.344 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.684 -4.729 6.217 1.00 0.00 C ATOM 1544 CE2 PHE A 103 8.847 -4.651 4.171 1.00 0.00 C ATOM 1545 CZ PHE A 103 8.164 -5.357 5.111 1.00 0.00 C ATOM 0 H PHE A 103 8.821 1.214 6.108 1.00 0.00 H new ATOM 0 HA PHE A 103 7.405 -0.286 4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.662 -0.823 5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.064 -0.937 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.513 -2.838 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 103 9.599 -2.696 3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.142 -5.290 6.964 1.00 0.00 H new ATOM 0 HE2 PHE A 103 9.229 -5.150 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 103 8.003 -6.417 4.979 1.00 0.00 H new ATOM 1555 N GLU A 104 6.311 -0.543 7.276 1.00 0.00 N ATOM 1556 CA GLU A 104 5.189 -0.990 8.085 1.00 0.00 C ATOM 1557 C GLU A 104 3.925 -0.213 7.714 1.00 0.00 C ATOM 1558 O GLU A 104 2.831 -0.775 7.689 1.00 0.00 O ATOM 1559 CB GLU A 104 5.500 -0.853 9.576 1.00 0.00 C ATOM 1560 CG GLU A 104 6.508 -1.913 10.026 1.00 0.00 C ATOM 1561 CD GLU A 104 6.383 -2.186 11.527 1.00 0.00 C ATOM 1562 OE1 GLU A 104 5.584 -3.081 11.877 1.00 0.00 O ATOM 1563 OE2 GLU A 104 7.091 -1.494 12.290 1.00 0.00 O ATOM 0 H GLU A 104 7.030 -0.033 7.789 1.00 0.00 H new ATOM 0 HA GLU A 104 5.015 -2.046 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.898 0.141 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.581 -0.952 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.343 -2.836 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.520 -1.579 9.796 1.00 0.00 H new ATOM 1570 N GLU A 105 4.116 1.068 7.436 1.00 0.00 N ATOM 1571 CA GLU A 105 3.004 1.929 7.069 1.00 0.00 C ATOM 1572 C GLU A 105 2.311 1.393 5.815 1.00 0.00 C ATOM 1573 O GLU A 105 1.131 1.044 5.854 1.00 0.00 O ATOM 1574 CB GLU A 105 3.471 3.371 6.863 1.00 0.00 C ATOM 1575 CG GLU A 105 3.504 4.131 8.191 1.00 0.00 C ATOM 1576 CD GLU A 105 2.150 4.057 8.899 1.00 0.00 C ATOM 1577 OE1 GLU A 105 1.134 4.276 8.204 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.161 3.784 10.118 1.00 0.00 O ATOM 0 H GLU A 105 5.025 1.531 7.457 1.00 0.00 H new ATOM 0 HA GLU A 105 2.284 1.929 7.887 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.464 3.375 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.803 3.878 6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.278 3.713 8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.768 5.173 8.011 1.00 0.00 H new ATOM 1585 N VAL A 106 3.072 1.344 4.731 1.00 0.00 N ATOM 1586 CA VAL A 106 2.545 0.856 3.468 1.00 0.00 C ATOM 1587 C VAL A 106 1.790 -0.453 3.706 1.00 0.00 C ATOM 1588 O VAL A 106 0.656 -0.610 3.257 1.00 0.00 O ATOM 1589 CB VAL A 106 3.677 0.716 2.448 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.174 0.073 1.155 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.333 2.070 2.168 1.00 0.00 C ATOM 0 H VAL A 106 4.049 1.634 4.702 1.00 0.00 H new ATOM 0 HA VAL A 106 1.835 1.569 3.050 1.00 0.00 H new ATOM 0 HB VAL A 106 4.434 0.059 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.999 -0.015 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.776 -0.918 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.389 0.693 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.134 1.943 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.588 2.760 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.744 2.473 3.093 1.00 0.00 H new ATOM 1601 N TYR A 107 2.450 -1.359 4.412 1.00 0.00 N ATOM 1602 CA TYR A 107 1.855 -2.650 4.716 1.00 0.00 C ATOM 1603 C TYR A 107 0.556 -2.483 5.506 1.00 0.00 C ATOM 1604 O TYR A 107 -0.477 -3.036 5.132 1.00 0.00 O ATOM 1605 CB TYR A 107 2.875 -3.390 5.584 1.00 0.00 C ATOM 1606 CG TYR A 107 2.467 -4.822 5.939 1.00 0.00 C ATOM 1607 CD1 TYR A 107 1.496 -5.046 6.894 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.069 -5.888 5.304 1.00 0.00 C ATOM 1609 CE1 TYR A 107 1.112 -6.393 7.228 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.686 -7.236 5.637 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.726 -7.421 6.583 1.00 0.00 C ATOM 1612 OH TYR A 107 1.364 -8.694 6.899 1.00 0.00 O ATOM 0 H TYR A 107 3.391 -1.225 4.782 1.00 0.00 H new ATOM 0 HA TYR A 107 1.617 -3.189 3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.832 -3.414 5.062 1.00 0.00 H new ATOM 0 HB3 TYR A 107 3.029 -2.828 6.505 1.00 0.00 H new ATOM 0 HD1 TYR A 107 1.024 -4.211 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.828 -5.712 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 107 0.354 -6.583 7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.150 -8.080 5.147 1.00 0.00 H new ATOM 0 HH TYR A 107 1.884 -9.325 6.359 1.00 0.00 H new ATOM 1622 N ASN A 108 0.650 -1.717 6.583 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.505 -1.470 7.429 1.00 0.00 C ATOM 1624 C ASN A 108 -1.670 -0.984 6.564 1.00 0.00 C ATOM 1625 O ASN A 108 -2.801 -1.441 6.726 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.205 -0.389 8.469 1.00 0.00 C ATOM 1627 CG ASN A 108 0.463 -0.990 9.707 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.078 -1.852 10.380 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.667 -0.489 9.969 1.00 0.00 N ATOM 0 H ASN A 108 1.509 -1.259 6.889 1.00 0.00 H new ATOM 0 HA ASN A 108 -0.755 -2.401 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.445 0.370 8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.130 0.111 8.757 1.00 0.00 H new ATOM 0 HD21 ASN A 108 2.195 -0.825 10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 108 2.062 0.231 9.365 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.354 -0.064 5.665 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.361 0.489 4.775 1.00 0.00 C ATOM 1638 C ILE A 109 -3.124 -0.654 4.103 1.00 0.00 C ATOM 1639 O ILE A 109 -4.333 -0.791 4.287 1.00 0.00 O ATOM 1640 CB ILE A 109 -1.723 1.467 3.786 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.190 2.706 4.508 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.700 1.831 2.667 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.132 3.420 3.664 1.00 0.00 C ATOM 0 H ILE A 109 -0.415 0.313 5.534 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.089 1.071 5.339 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.870 0.974 3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.012 3.389 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.760 2.416 5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.221 2.527 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.989 0.929 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.587 2.297 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.230 4.297 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.700 2.742 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.571 3.730 2.716 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.388 -1.446 3.337 1.00 0.00 N ATOM 1656 CA ILE A 110 -2.980 -2.573 2.637 1.00 0.00 C ATOM 1657 C ILE A 110 -3.765 -3.430 3.632 1.00 0.00 C ATOM 1658 O ILE A 110 -4.710 -4.120 3.252 1.00 0.00 O ATOM 1659 CB ILE A 110 -1.910 -3.348 1.867 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.430 -2.558 0.648 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.411 -4.743 1.486 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.097 -2.562 0.558 1.00 0.00 C ATOM 0 H ILE A 110 -1.386 -1.329 3.186 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.690 -2.225 1.886 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.049 -3.483 2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.852 -2.990 -0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.791 -1.532 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.631 -5.273 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.663 -5.299 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.297 -4.652 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.411 -1.994 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.516 -2.107 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.454 -3.588 0.471 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.345 -3.359 4.886 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.997 -4.120 5.938 1.00 0.00 C ATOM 1676 C LEU A 111 -5.263 -3.386 6.383 1.00 0.00 C ATOM 1677 O LEU A 111 -6.216 -4.011 6.846 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.018 -4.404 7.079 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.643 -4.651 8.454 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.152 -6.089 8.574 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -2.664 -4.295 9.574 1.00 0.00 C ATOM 0 H LEU A 111 -2.561 -2.786 5.198 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.308 -5.096 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.422 -5.276 6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.331 -3.561 7.160 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.506 -3.993 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.591 -6.238 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.906 -6.273 7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.321 -6.782 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.134 -4.480 10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.768 -4.909 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.392 -3.242 9.498 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.233 -2.071 6.226 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.367 -1.246 6.606 1.00 0.00 C ATOM 1695 C GLU A 112 -7.533 -1.471 5.642 1.00 0.00 C ATOM 1696 O GLU A 112 -8.695 -1.380 6.036 1.00 0.00 O ATOM 1697 CB GLU A 112 -5.976 0.233 6.657 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.218 0.555 7.947 1.00 0.00 C ATOM 1699 CD GLU A 112 -5.883 1.710 8.699 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.034 1.511 9.143 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.224 2.766 8.813 1.00 0.00 O ATOM 0 H GLU A 112 -4.441 -1.556 5.841 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.686 -1.539 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.356 0.479 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.871 0.852 6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.186 -0.328 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.186 0.816 7.712 1.00 0.00 H new ATOM 1708 N SER A 113 -7.184 -1.760 4.397 1.00 0.00 N ATOM 1709 CA SER A 113 -8.187 -1.999 3.374 1.00 0.00 C ATOM 1710 C SER A 113 -8.533 -3.489 3.318 1.00 0.00 C ATOM 1711 O SER A 113 -8.980 -3.987 2.286 1.00 0.00 O ATOM 1712 CB SER A 113 -7.705 -1.515 2.005 1.00 0.00 C ATOM 1713 OG SER A 113 -6.708 -2.372 1.456 1.00 0.00 O ATOM 0 H SER A 113 -6.219 -1.834 4.074 1.00 0.00 H new ATOM 0 HA SER A 113 -9.082 -1.434 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.552 -1.460 1.321 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.304 -0.506 2.098 1.00 0.00 H new ATOM 0 HG SER A 113 -6.214 -2.806 2.182 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.313 -4.157 4.440 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.596 -5.580 4.532 1.00 0.00 C ATOM 1721 C LYS A 114 -10.087 -5.816 4.283 1.00 0.00 C ATOM 1722 O LYS A 114 -10.459 -6.564 3.381 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.098 -6.140 5.866 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.814 -6.951 5.675 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.562 -7.868 6.874 1.00 0.00 C ATOM 1726 CE LYS A 114 -7.176 -9.250 6.644 1.00 0.00 C ATOM 1727 NZ LYS A 114 -7.846 -9.730 7.874 1.00 0.00 N ATOM 0 H LYS A 114 -7.942 -3.740 5.294 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.054 -6.127 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.915 -5.322 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.868 -6.771 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.888 -7.547 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.969 -6.275 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.490 -7.966 7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.987 -7.422 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.895 -9.204 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.399 -9.955 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.258 -10.669 7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.152 -9.793 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.600 -9.065 8.140 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.922 -5.146 5.122 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.364 -5.276 5.002 1.00 0.00 C ATOM 1743 C PRO A 115 -12.888 -4.490 3.798 1.00 0.00 C ATOM 1744 O PRO A 115 -13.933 -4.822 3.243 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.916 -4.771 6.326 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.803 -3.948 6.955 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.517 -4.251 6.202 1.00 0.00 C ATOM 0 HA PRO A 115 -12.679 -6.303 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.809 -4.166 6.171 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -13.201 -5.601 6.972 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.036 -2.885 6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.695 -4.196 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.062 -3.340 5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.779 -4.723 6.852 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.136 -3.463 3.430 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.510 -2.627 2.302 1.00 0.00 C ATOM 1757 C GLU A 116 -13.117 -3.481 1.187 1.00 0.00 C ATOM 1758 O GLU A 116 -12.596 -4.547 0.863 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.310 -1.828 1.789 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.346 -0.390 2.310 1.00 0.00 C ATOM 1761 CD GLU A 116 -11.470 0.608 1.157 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -12.127 0.243 0.159 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -10.904 1.713 1.300 1.00 0.00 O ATOM 0 H GLU A 116 -11.269 -3.191 3.893 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.263 -1.914 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.385 -2.310 2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.310 -1.824 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.186 -0.268 2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.440 -0.183 2.879 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.240 -2.968 0.616 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.923 -3.672 -0.455 1.00 0.00 C ATOM 1772 C PRO A 117 -14.154 -3.546 -1.772 1.00 0.00 C ATOM 1773 O PRO A 117 -14.334 -4.357 -2.680 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.308 -3.049 -0.514 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.196 -1.715 0.205 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.886 -1.709 0.975 1.00 0.00 C ATOM 0 HA PRO A 117 -14.991 -4.745 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.630 -2.911 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.046 -3.691 -0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.222 -0.893 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -17.038 -1.575 0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.268 -0.854 0.699 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.058 -1.644 2.049 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.314 -2.524 -1.834 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.517 -2.281 -3.024 1.00 0.00 C ATOM 1786 C GLN A 118 -11.152 -1.707 -2.641 1.00 0.00 C ATOM 1787 O GLN A 118 -10.925 -1.355 -1.484 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.250 -1.352 -3.995 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.090 0.111 -3.579 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.293 0.943 -4.029 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.096 1.401 -3.233 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.372 1.113 -5.346 1.00 0.00 N ATOM 0 H GLN A 118 -13.168 -1.854 -1.079 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.359 -3.232 -3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.859 -1.492 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.308 -1.612 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.983 0.175 -2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.178 0.519 -4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.666 0.702 -5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.139 1.654 -5.745 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.278 -1.629 -3.634 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.941 -1.103 -3.416 1.00 0.00 C ATOM 1803 C VAL A 119 -8.487 -0.342 -4.663 1.00 0.00 C ATOM 1804 O VAL A 119 -8.492 -0.890 -5.764 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.990 -2.237 -3.027 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.591 -1.698 -2.723 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.541 -3.032 -1.842 1.00 0.00 C ATOM 0 H VAL A 119 -10.470 -1.921 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.939 -0.396 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.911 -2.915 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.934 -2.524 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.194 -1.197 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.646 -0.989 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.846 -3.832 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.664 -2.370 -0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.506 -3.462 -2.110 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.105 0.908 -4.448 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.648 1.749 -5.541 1.00 0.00 C ATOM 1819 C GLU A 120 -6.139 1.982 -5.437 1.00 0.00 C ATOM 1820 O GLU A 120 -5.662 2.553 -4.458 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.408 3.077 -5.566 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.054 3.888 -6.814 1.00 0.00 C ATOM 1823 CD GLU A 120 -7.971 5.382 -6.491 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -6.981 5.767 -5.832 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -8.900 6.105 -6.912 1.00 0.00 O ATOM 0 H GLU A 120 -8.103 1.359 -3.533 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.852 1.234 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.481 2.886 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.168 3.654 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.101 3.546 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.805 3.720 -7.586 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.431 1.529 -6.461 1.00 0.00 N ATOM 1833 CA LEU A 121 -3.986 1.681 -6.497 1.00 0.00 C ATOM 1834 C LEU A 121 -3.619 2.795 -7.479 1.00 0.00 C ATOM 1835 O LEU A 121 -4.428 3.172 -8.326 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.314 0.342 -6.808 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.087 -0.588 -5.614 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -4.288 -0.567 -4.667 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -2.748 -2.005 -6.080 1.00 0.00 C ATOM 0 H LEU A 121 -5.831 1.057 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.610 1.981 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.922 -0.185 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.350 0.542 -7.276 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.228 -0.220 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.101 -1.236 -3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.441 0.446 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.179 -0.896 -5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.591 -2.646 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.571 -2.398 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.840 -1.982 -6.683 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.400 3.292 -7.332 1.00 0.00 N ATOM 1852 CA VAL A 122 -1.916 4.356 -8.195 1.00 0.00 C ATOM 1853 C VAL A 122 -0.409 4.191 -8.405 1.00 0.00 C ATOM 1854 O VAL A 122 0.364 4.249 -7.450 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.292 5.718 -7.608 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.250 6.808 -8.680 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -3.665 5.664 -6.934 1.00 0.00 C ATOM 0 H VAL A 122 -1.733 2.977 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.389 4.298 -9.175 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.554 5.970 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.521 7.766 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.244 6.872 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.955 6.564 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.908 6.645 -6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.419 5.379 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.646 4.930 -6.129 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.038 3.989 -9.661 1.00 0.00 N ATOM 1868 CA VAL A 123 1.362 3.815 -10.008 1.00 0.00 C ATOM 1869 C VAL A 123 1.784 4.923 -10.976 1.00 0.00 C ATOM 1870 O VAL A 123 0.983 5.380 -11.790 1.00 0.00 O ATOM 1871 CB VAL A 123 1.591 2.411 -10.570 1.00 0.00 C ATOM 1872 CG1 VAL A 123 2.083 1.457 -9.480 1.00 0.00 C ATOM 1873 CG2 VAL A 123 0.324 1.874 -11.238 1.00 0.00 C ATOM 0 H VAL A 123 -0.682 3.942 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 123 1.989 3.902 -9.121 1.00 0.00 H new ATOM 0 HB VAL A 123 2.368 2.478 -11.331 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.238 0.466 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 123 3.023 1.827 -9.070 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.339 1.398 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.514 0.875 -11.629 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.482 1.830 -10.506 1.00 0.00 H new ATOM 0 HG23 VAL A 123 0.036 2.535 -12.056 1.00 0.00 H new ATOM 1883 N SER A 124 3.041 5.323 -10.855 1.00 0.00 N ATOM 1884 CA SER A 124 3.579 6.368 -11.709 1.00 0.00 C ATOM 1885 C SER A 124 4.684 5.798 -12.602 1.00 0.00 C ATOM 1886 O SER A 124 5.660 5.237 -12.106 1.00 0.00 O ATOM 1887 CB SER A 124 4.118 7.535 -10.879 1.00 0.00 C ATOM 1888 OG SER A 124 4.451 8.658 -11.689 1.00 0.00 O ATOM 0 H SER A 124 3.703 4.942 -10.178 1.00 0.00 H new ATOM 0 HA SER A 124 2.772 6.745 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.372 7.829 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 124 5.001 7.211 -10.328 1.00 0.00 H new ATOM 0 HG SER A 124 4.789 9.382 -11.122 1.00 0.00 H new ATOM 1894 N ARG A 125 4.492 5.962 -13.902 1.00 0.00 N ATOM 1895 CA ARG A 125 5.460 5.470 -14.869 1.00 0.00 C ATOM 1896 C ARG A 125 6.158 6.641 -15.563 1.00 0.00 C ATOM 1897 O ARG A 125 5.652 7.763 -15.556 1.00 0.00 O ATOM 1898 CB ARG A 125 4.787 4.589 -15.923 1.00 0.00 C ATOM 1899 CG ARG A 125 5.362 3.171 -15.900 1.00 0.00 C ATOM 1900 CD ARG A 125 4.393 2.176 -16.543 1.00 0.00 C ATOM 1901 NE ARG A 125 4.388 0.909 -15.779 1.00 0.00 N ATOM 1902 CZ ARG A 125 4.011 -0.272 -16.285 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.605 -0.356 -17.560 1.00 0.00 N ATOM 1904 NH2 ARG A 125 4.039 -1.370 -15.518 1.00 0.00 N ATOM 0 H ARG A 125 3.681 6.428 -14.309 1.00 0.00 H new ATOM 0 HA ARG A 125 6.195 4.873 -14.329 1.00 0.00 H new ATOM 0 HB2 ARG A 125 3.713 4.553 -15.740 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.928 5.026 -16.911 1.00 0.00 H new ATOM 0 HG2 ARG A 125 6.314 3.152 -16.431 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.565 2.874 -14.871 1.00 0.00 H new ATOM 0 HD2 ARG A 125 3.389 2.599 -16.569 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.686 1.986 -17.576 1.00 0.00 H new ATOM 0 HE ARG A 125 4.691 0.937 -14.805 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.583 0.480 -18.144 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.318 -1.256 -17.946 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.348 -1.307 -14.548 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.752 -2.269 -15.904 1.00 0.00 H new ATOM 1918 N SER A 126 7.309 6.341 -16.146 1.00 0.00 N ATOM 1919 CA SER A 126 8.082 7.355 -16.844 1.00 0.00 C ATOM 1920 C SER A 126 7.990 7.135 -18.355 1.00 0.00 C ATOM 1921 O SER A 126 8.562 6.183 -18.884 1.00 0.00 O ATOM 1922 CB SER A 126 9.544 7.340 -16.393 1.00 0.00 C ATOM 1923 OG SER A 126 10.305 6.353 -17.083 1.00 0.00 O ATOM 0 H SER A 126 7.725 5.410 -16.150 1.00 0.00 H new ATOM 0 HA SER A 126 7.665 8.332 -16.600 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.986 8.322 -16.562 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.591 7.150 -15.321 1.00 0.00 H new ATOM 0 HG SER A 126 9.714 5.832 -17.666 1.00 0.00 H new ATOM 1929 N GLY A 127 7.265 8.032 -19.008 1.00 0.00 N ATOM 1930 CA GLY A 127 7.091 7.948 -20.449 1.00 0.00 C ATOM 1931 C GLY A 127 8.404 7.573 -21.139 1.00 0.00 C ATOM 1932 O GLY A 127 9.472 7.652 -20.534 1.00 0.00 O ATOM 0 H GLY A 127 6.792 8.820 -18.566 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.328 7.206 -20.684 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.735 8.904 -20.832 1.00 0.00 H new ATOM 1936 N PRO A 128 8.279 7.162 -22.429 1.00 0.00 N ATOM 1937 CA PRO A 128 9.442 6.775 -23.208 1.00 0.00 C ATOM 1938 C PRO A 128 10.246 8.004 -23.641 1.00 0.00 C ATOM 1939 O PRO A 128 9.680 8.977 -24.135 1.00 0.00 O ATOM 1940 CB PRO A 128 8.885 5.986 -24.382 1.00 0.00 C ATOM 1941 CG PRO A 128 7.413 6.354 -24.470 1.00 0.00 C ATOM 1942 CD PRO A 128 7.030 7.056 -23.178 1.00 0.00 C ATOM 0 HA PRO A 128 10.148 6.170 -22.638 1.00 0.00 H new ATOM 0 HB2 PRO A 128 9.407 6.239 -25.305 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.011 4.914 -24.228 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.233 7.005 -25.326 1.00 0.00 H new ATOM 0 HG3 PRO A 128 6.804 5.461 -24.614 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.601 8.039 -23.374 1.00 0.00 H new ATOM 0 HD3 PRO A 128 6.283 6.487 -22.624 1.00 0.00 H new ATOM 1950 N SER A 129 11.552 7.917 -23.439 1.00 0.00 N ATOM 1951 CA SER A 129 12.439 9.010 -23.802 1.00 0.00 C ATOM 1952 C SER A 129 13.897 8.588 -23.604 1.00 0.00 C ATOM 1953 O SER A 129 14.259 8.071 -22.548 1.00 0.00 O ATOM 1954 CB SER A 129 12.133 10.264 -22.982 1.00 0.00 C ATOM 1955 OG SER A 129 12.615 11.446 -23.614 1.00 0.00 O ATOM 0 H SER A 129 12.018 7.107 -23.029 1.00 0.00 H new ATOM 0 HA SER A 129 12.276 9.248 -24.853 1.00 0.00 H new ATOM 0 HB2 SER A 129 11.056 10.346 -22.833 1.00 0.00 H new ATOM 0 HB3 SER A 129 12.585 10.171 -21.995 1.00 0.00 H new ATOM 0 HG SER A 129 12.398 12.225 -23.060 1.00 0.00 H new ATOM 1961 N SER A 130 14.694 8.826 -24.635 1.00 0.00 N ATOM 1962 CA SER A 130 16.103 8.477 -24.587 1.00 0.00 C ATOM 1963 C SER A 130 16.266 7.009 -24.188 1.00 0.00 C ATOM 1964 O SER A 130 16.252 6.679 -23.004 1.00 0.00 O ATOM 1965 CB SER A 130 16.861 9.380 -23.611 1.00 0.00 C ATOM 1966 OG SER A 130 17.338 10.565 -24.241 1.00 0.00 O ATOM 0 H SER A 130 14.391 9.256 -25.509 1.00 0.00 H new ATOM 0 HA SER A 130 16.526 8.625 -25.581 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.206 9.649 -22.782 1.00 0.00 H new ATOM 0 HB3 SER A 130 17.702 8.831 -23.188 1.00 0.00 H new ATOM 0 HG SER A 130 17.814 11.115 -23.585 1.00 0.00 H new ATOM 1972 N GLY A 131 16.418 6.167 -25.200 1.00 0.00 N ATOM 1973 CA GLY A 131 16.583 4.742 -24.970 1.00 0.00 C ATOM 1974 C GLY A 131 17.545 4.130 -25.990 1.00 0.00 C ATOM 1975 O GLY A 131 17.246 4.086 -27.182 1.00 0.00 O ATOM 0 H GLY A 131 16.430 6.445 -26.181 1.00 0.00 H new ATOM 0 HA2 GLY A 131 16.961 4.574 -23.962 1.00 0.00 H new ATOM 0 HA3 GLY A 131 15.615 4.245 -25.034 1.00 0.00 H new TER 1979 GLY A 131