USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.119 K(o=-2.9,f=-5.6) USER MOD Set 2.2: A 75 HIS : no HD1:sc= -2.73! C(o=-2.9!,f=-5.6!) USER MOD Set 3.1: A 60 ASN : amide:sc= -0.205 X(o=-2.2,f=-2.1) USER MOD Set 3.2: A 61 SER OG : rot -171:sc= -1.98! USER MOD Set 4.1: A 25 LYS NZ :NH3+ 157:sc= 1.22 (180deg=-0.255) USER MOD Set 4.2: A 35 HIS : no HD1:sc= -0.42 K(o=0.8,f=-6!) USER MOD Single : A 1 MET CE :methyl 178:sc= -0.52 (180deg=-0.535) USER MOD Single : A 1 MET N :NH3+ 169:sc= 2.34 (180deg=1.69) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.196 (180deg=-0.662) USER MOD Single : A 9 SER OG : rot -46:sc= 0.888 USER MOD Single : A 10 THR OG1 : rot -118:sc= 0.444 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.22) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0.999 (180deg=0.912) USER MOD Single : A 29 GLN : amide:sc= -4.37! C(o=-4.4!,f=-12!) USER MOD Single : A 31 SER OG : rot -43:sc= 0.921 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -145:sc= -2.26! (180deg=-4.55!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.677 USER MOD Single : A 42 THR OG1 : rot -71:sc= -3.7! USER MOD Single : A 43 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.59) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -4.34! (180deg=-6.47!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 48:sc= -0.0637 USER MOD Single : A 53 GLN : amide:sc= -0.0417 K(o=-0.042,f=-0.67) USER MOD Single : A 55 GLN : amide:sc= 0.0109 K(o=0.011,f=-0.74) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.3!) USER MOD Single : A 76 THR OG1 : rot -120:sc= -4.36! USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0.603 (180deg=0.575) USER MOD Single : A 82 MET CE :methyl 175:sc= -5.69! (180deg=-5.81!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0137 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.673 -8.680 19.769 1.00 0.00 N ATOM 2 CA MET A 1 -6.797 -9.049 21.188 1.00 0.00 C ATOM 3 C MET A 1 -7.679 -8.045 21.911 1.00 0.00 C ATOM 4 O MET A 1 -8.849 -8.303 22.173 1.00 0.00 O ATOM 5 CB MET A 1 -5.411 -9.140 21.848 1.00 0.00 C ATOM 6 CG MET A 1 -5.378 -9.996 23.113 1.00 0.00 C ATOM 7 SD MET A 1 -6.228 -9.255 24.519 1.00 0.00 S ATOM 8 CE MET A 1 -5.123 -7.907 24.910 1.00 0.00 C ATOM 0 H1 MET A 1 -5.928 -9.254 19.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.577 -8.852 19.285 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.426 -7.673 19.693 1.00 0.00 H new ATOM 0 HA MET A 1 -7.264 -10.032 21.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.703 -9.549 21.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.071 -8.134 22.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.830 -10.964 22.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.340 -10.183 23.386 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.532 -7.330 25.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.148 -8.305 25.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.014 -7.261 24.039 1.00 0.00 H new ATOM 18 N SER A 2 -7.131 -6.880 22.223 1.00 0.00 N ATOM 19 CA SER A 2 -7.896 -5.847 22.891 1.00 0.00 C ATOM 20 C SER A 2 -8.722 -5.080 21.863 1.00 0.00 C ATOM 21 O SER A 2 -9.752 -4.476 22.178 1.00 0.00 O ATOM 22 CB SER A 2 -6.963 -4.900 23.660 1.00 0.00 C ATOM 23 OG SER A 2 -7.692 -3.933 24.397 1.00 0.00 O ATOM 0 H SER A 2 -6.162 -6.630 22.024 1.00 0.00 H new ATOM 0 HA SER A 2 -8.571 -6.309 23.612 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.336 -5.478 24.338 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.296 -4.397 22.959 1.00 0.00 H new ATOM 0 HG SER A 2 -7.068 -3.348 24.875 1.00 0.00 H new ATOM 29 N ASP A 3 -8.264 -5.115 20.623 1.00 0.00 N ATOM 30 CA ASP A 3 -8.949 -4.475 19.519 1.00 0.00 C ATOM 31 C ASP A 3 -10.098 -5.359 19.029 1.00 0.00 C ATOM 32 O ASP A 3 -11.268 -4.974 19.092 1.00 0.00 O ATOM 33 CB ASP A 3 -7.952 -4.166 18.369 1.00 0.00 C ATOM 34 CG ASP A 3 -7.211 -5.398 17.847 1.00 0.00 C ATOM 35 OD1 ASP A 3 -6.815 -6.263 18.669 1.00 0.00 O ATOM 36 OD2 ASP A 3 -7.035 -5.518 16.620 1.00 0.00 O ATOM 0 H ASP A 3 -7.402 -5.591 20.355 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.368 -3.530 19.863 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.495 -3.704 17.545 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.222 -3.436 18.720 1.00 0.00 H new ATOM 41 N GLN A 4 -9.760 -6.549 18.545 1.00 0.00 N ATOM 42 CA GLN A 4 -10.737 -7.520 18.078 1.00 0.00 C ATOM 43 C GLN A 4 -10.217 -8.928 18.330 1.00 0.00 C ATOM 44 O GLN A 4 -8.998 -9.166 18.284 1.00 0.00 O ATOM 45 CB GLN A 4 -11.013 -7.350 16.573 1.00 0.00 C ATOM 46 CG GLN A 4 -11.623 -6.016 16.181 1.00 0.00 C ATOM 47 CD GLN A 4 -11.945 -5.935 14.701 1.00 0.00 C ATOM 48 OE1 GLN A 4 -13.042 -6.292 14.271 1.00 0.00 O ATOM 49 NE2 GLN A 4 -10.997 -5.469 13.916 1.00 0.00 N ATOM 0 H GLN A 4 -8.794 -6.867 18.466 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.666 -7.356 18.625 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.077 -7.478 16.030 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.681 -8.148 16.249 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.534 -5.854 16.757 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.933 -5.214 16.444 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.101 -5.184 14.312 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.158 -5.393 12.912 1.00 0.00 H new ATOM 58 N GLU A 5 -11.126 -9.856 18.622 1.00 0.00 N ATOM 59 CA GLU A 5 -10.791 -11.260 18.819 1.00 0.00 C ATOM 60 C GLU A 5 -12.056 -12.091 18.991 1.00 0.00 C ATOM 61 O GLU A 5 -13.169 -11.562 18.935 1.00 0.00 O ATOM 62 CB GLU A 5 -9.855 -11.460 20.014 1.00 0.00 C ATOM 63 CG GLU A 5 -10.430 -11.046 21.354 1.00 0.00 C ATOM 64 CD GLU A 5 -9.493 -11.385 22.486 1.00 0.00 C ATOM 65 OE1 GLU A 5 -8.276 -11.552 22.225 1.00 0.00 O ATOM 66 OE2 GLU A 5 -9.957 -11.489 23.636 1.00 0.00 O ATOM 0 H GLU A 5 -12.120 -9.652 18.729 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.263 -11.598 17.927 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.575 -12.512 20.065 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.940 -10.895 19.838 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.626 -9.974 21.351 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.387 -11.545 21.510 1.00 0.00 H new ATOM 73 N ALA A 6 -11.895 -13.384 19.207 1.00 0.00 N ATOM 74 CA ALA A 6 -13.031 -14.282 19.346 1.00 0.00 C ATOM 75 C ALA A 6 -12.950 -15.081 20.644 1.00 0.00 C ATOM 76 O ALA A 6 -13.390 -16.227 20.711 1.00 0.00 O ATOM 77 CB ALA A 6 -13.097 -15.218 18.147 1.00 0.00 C ATOM 0 H ALA A 6 -10.986 -13.839 19.290 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.941 -13.683 19.384 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.949 -15.889 18.255 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.210 -14.633 17.234 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.179 -15.804 18.092 1.00 0.00 H new ATOM 83 N LYS A 7 -12.403 -14.472 21.683 1.00 0.00 N ATOM 84 CA LYS A 7 -12.278 -15.139 22.977 1.00 0.00 C ATOM 85 C LYS A 7 -13.452 -14.796 23.886 1.00 0.00 C ATOM 86 O LYS A 7 -14.057 -13.732 23.753 1.00 0.00 O ATOM 87 CB LYS A 7 -10.967 -14.759 23.680 1.00 0.00 C ATOM 88 CG LYS A 7 -9.719 -15.429 23.123 1.00 0.00 C ATOM 89 CD LYS A 7 -9.299 -14.849 21.787 1.00 0.00 C ATOM 90 CE LYS A 7 -7.982 -15.443 21.325 1.00 0.00 C ATOM 91 NZ LYS A 7 -6.902 -15.243 22.332 1.00 0.00 N ATOM 0 H LYS A 7 -12.038 -13.520 21.660 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.276 -16.211 22.782 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.839 -13.678 23.618 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.054 -15.009 24.737 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.902 -15.320 23.836 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.903 -16.497 23.010 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.071 -15.045 21.043 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.204 -13.766 21.870 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.110 -16.509 21.136 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.688 -14.985 20.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.975 -15.359 21.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.973 -14.286 22.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.003 -15.944 23.093 1.00 0.00 H new ATOM 105 N PRO A 8 -13.801 -15.708 24.808 1.00 0.00 N ATOM 106 CA PRO A 8 -14.869 -15.488 25.786 1.00 0.00 C ATOM 107 C PRO A 8 -14.399 -14.603 26.951 1.00 0.00 C ATOM 108 O PRO A 8 -13.333 -13.986 26.883 1.00 0.00 O ATOM 109 CB PRO A 8 -15.176 -16.900 26.282 1.00 0.00 C ATOM 110 CG PRO A 8 -13.886 -17.631 26.152 1.00 0.00 C ATOM 111 CD PRO A 8 -13.186 -17.043 24.956 1.00 0.00 C ATOM 0 HA PRO A 8 -15.729 -14.974 25.358 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.524 -16.891 27.315 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.959 -17.368 25.686 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.282 -17.516 27.052 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.056 -18.699 26.017 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.110 -16.972 25.117 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.335 -17.653 24.065 1.00 0.00 H new ATOM 119 N SER A 9 -15.192 -14.573 28.036 1.00 0.00 N ATOM 120 CA SER A 9 -14.906 -13.749 29.232 1.00 0.00 C ATOM 121 C SER A 9 -14.571 -12.285 28.885 1.00 0.00 C ATOM 122 O SER A 9 -13.912 -11.579 29.653 1.00 0.00 O ATOM 123 CB SER A 9 -13.772 -14.387 30.057 1.00 0.00 C ATOM 124 OG SER A 9 -13.554 -13.681 31.270 1.00 0.00 O ATOM 0 H SER A 9 -16.051 -15.118 28.112 1.00 0.00 H new ATOM 0 HA SER A 9 -15.818 -13.724 29.829 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.020 -15.425 30.278 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.854 -14.397 29.470 1.00 0.00 H new ATOM 0 HG SER A 9 -13.527 -12.718 31.088 1.00 0.00 H new ATOM 130 N THR A 10 -15.049 -11.825 27.757 1.00 0.00 N ATOM 131 CA THR A 10 -14.787 -10.476 27.324 1.00 0.00 C ATOM 132 C THR A 10 -16.066 -9.710 27.122 1.00 0.00 C ATOM 133 O THR A 10 -17.104 -10.280 26.774 1.00 0.00 O ATOM 134 CB THR A 10 -13.973 -10.455 26.024 1.00 0.00 C ATOM 135 OG1 THR A 10 -14.483 -11.447 25.121 1.00 0.00 O ATOM 136 CG2 THR A 10 -12.506 -10.713 26.305 1.00 0.00 C ATOM 0 H THR A 10 -15.627 -12.370 27.117 1.00 0.00 H new ATOM 0 HA THR A 10 -14.207 -9.997 28.113 1.00 0.00 H new ATOM 0 HB THR A 10 -14.065 -9.469 25.569 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.786 -12.110 24.936 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.947 -10.694 25.369 1.00 0.00 H new ATOM 0 HG22 THR A 10 -12.122 -9.942 26.973 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.392 -11.690 26.776 1.00 0.00 H new ATOM 144 N GLU A 11 -16.006 -8.423 27.348 1.00 0.00 N ATOM 145 CA GLU A 11 -17.149 -7.573 27.170 1.00 0.00 C ATOM 146 C GLU A 11 -17.169 -7.027 25.753 1.00 0.00 C ATOM 147 O GLU A 11 -16.249 -7.265 24.970 1.00 0.00 O ATOM 148 CB GLU A 11 -17.116 -6.433 28.180 1.00 0.00 C ATOM 149 CG GLU A 11 -15.916 -5.513 28.038 1.00 0.00 C ATOM 150 CD GLU A 11 -15.971 -4.349 28.997 1.00 0.00 C ATOM 151 OE1 GLU A 11 -16.567 -3.312 28.645 1.00 0.00 O ATOM 152 OE2 GLU A 11 -15.429 -4.470 30.113 1.00 0.00 O ATOM 0 H GLU A 11 -15.165 -7.938 27.660 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.056 -8.154 27.335 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.027 -5.843 28.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.121 -6.853 29.186 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.002 -6.081 28.212 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.868 -5.137 27.016 1.00 0.00 H new ATOM 159 N ASP A 12 -18.210 -6.301 25.418 1.00 0.00 N ATOM 160 CA ASP A 12 -18.332 -5.727 24.093 1.00 0.00 C ATOM 161 C ASP A 12 -17.683 -4.362 24.044 1.00 0.00 C ATOM 162 O ASP A 12 -17.139 -3.881 25.043 1.00 0.00 O ATOM 163 CB ASP A 12 -19.797 -5.641 23.674 1.00 0.00 C ATOM 164 CG ASP A 12 -20.396 -7.004 23.434 1.00 0.00 C ATOM 165 OD1 ASP A 12 -20.304 -7.504 22.294 1.00 0.00 O ATOM 166 OD2 ASP A 12 -20.950 -7.596 24.383 1.00 0.00 O ATOM 0 H ASP A 12 -18.988 -6.092 26.044 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.815 -6.379 23.389 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.366 -5.126 24.448 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -19.880 -5.043 22.766 1.00 0.00 H new ATOM 171 N LEU A 13 -17.735 -3.719 22.898 1.00 0.00 N ATOM 172 CA LEU A 13 -17.123 -2.432 22.740 1.00 0.00 C ATOM 173 C LEU A 13 -17.916 -1.567 21.792 1.00 0.00 C ATOM 174 O LEU A 13 -18.047 -1.867 20.608 1.00 0.00 O ATOM 175 CB LEU A 13 -15.681 -2.572 22.255 1.00 0.00 C ATOM 176 CG LEU A 13 -15.006 -1.290 21.770 1.00 0.00 C ATOM 177 CD1 LEU A 13 -14.813 -0.296 22.909 1.00 0.00 C ATOM 178 CD2 LEU A 13 -13.680 -1.607 21.113 1.00 0.00 C ATOM 0 H LEU A 13 -18.199 -4.074 22.062 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.113 -1.946 23.716 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.085 -2.987 23.068 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.662 -3.298 21.442 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.662 -0.827 21.033 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.330 0.604 22.528 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.783 -0.036 23.333 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.188 -0.744 23.681 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.212 -0.683 20.773 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.027 -2.101 21.832 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.845 -2.265 20.260 1.00 0.00 H new ATOM 190 N GLY A 14 -18.474 -0.521 22.326 1.00 0.00 N ATOM 191 CA GLY A 14 -19.179 0.446 21.536 1.00 0.00 C ATOM 192 C GLY A 14 -18.627 1.811 21.808 1.00 0.00 C ATOM 193 O GLY A 14 -19.178 2.828 21.385 1.00 0.00 O ATOM 0 H GLY A 14 -18.453 -0.313 23.324 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -19.081 0.207 20.477 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -20.243 0.419 21.772 1.00 0.00 H new ATOM 197 N ASP A 15 -17.516 1.831 22.538 1.00 0.00 N ATOM 198 CA ASP A 15 -16.859 3.071 22.926 1.00 0.00 C ATOM 199 C ASP A 15 -15.883 3.534 21.854 1.00 0.00 C ATOM 200 O ASP A 15 -15.570 4.723 21.748 1.00 0.00 O ATOM 201 CB ASP A 15 -16.128 2.884 24.260 1.00 0.00 C ATOM 202 CG ASP A 15 -15.456 4.150 24.747 1.00 0.00 C ATOM 203 OD1 ASP A 15 -16.156 5.025 25.297 1.00 0.00 O ATOM 204 OD2 ASP A 15 -14.226 4.275 24.592 1.00 0.00 O ATOM 0 H ASP A 15 -17.048 0.990 22.876 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.624 3.839 23.041 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.839 2.543 25.013 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.379 2.100 24.151 1.00 0.00 H new ATOM 209 N LYS A 16 -15.406 2.602 21.036 1.00 0.00 N ATOM 210 CA LYS A 16 -14.462 2.939 19.986 1.00 0.00 C ATOM 211 C LYS A 16 -15.173 3.500 18.769 1.00 0.00 C ATOM 212 O LYS A 16 -15.158 2.905 17.689 1.00 0.00 O ATOM 213 CB LYS A 16 -13.594 1.740 19.580 1.00 0.00 C ATOM 214 CG LYS A 16 -12.299 1.596 20.377 1.00 0.00 C ATOM 215 CD LYS A 16 -11.395 2.826 20.240 1.00 0.00 C ATOM 216 CE LYS A 16 -11.024 3.108 18.786 1.00 0.00 C ATOM 217 NZ LYS A 16 -10.158 4.309 18.659 1.00 0.00 N ATOM 0 H LYS A 16 -15.658 1.615 21.082 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.803 3.705 20.395 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.180 0.828 19.695 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.347 1.828 18.522 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.537 1.438 21.429 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.761 0.712 20.036 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.901 3.696 20.660 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.486 2.674 20.822 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.509 2.243 18.368 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.932 3.252 18.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.942 4.477 17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.652 5.136 19.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.273 4.155 19.183 1.00 0.00 H new ATOM 231 N LYS A 17 -15.811 4.637 18.940 1.00 0.00 N ATOM 232 CA LYS A 17 -16.502 5.273 17.862 1.00 0.00 C ATOM 233 C LYS A 17 -15.532 6.080 17.027 1.00 0.00 C ATOM 234 O LYS A 17 -15.183 7.214 17.364 1.00 0.00 O ATOM 235 CB LYS A 17 -17.628 6.160 18.393 1.00 0.00 C ATOM 236 CG LYS A 17 -18.359 6.973 17.327 1.00 0.00 C ATOM 237 CD LYS A 17 -19.479 6.190 16.629 1.00 0.00 C ATOM 238 CE LYS A 17 -18.961 4.982 15.855 1.00 0.00 C ATOM 239 NZ LYS A 17 -20.022 4.362 15.031 1.00 0.00 N ATOM 0 H LYS A 17 -15.860 5.137 19.828 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.948 4.504 17.230 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -18.353 5.532 18.911 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.214 6.846 19.132 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.782 7.866 17.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.640 7.309 16.580 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -20.201 5.856 17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -20.009 6.854 15.946 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -18.135 5.288 15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -18.566 4.245 16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -19.632 3.545 14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -20.799 4.047 15.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.382 5.058 14.347 1.00 0.00 H new ATOM 253 N GLU A 18 -15.072 5.487 15.958 1.00 0.00 N ATOM 254 CA GLU A 18 -14.145 6.143 15.080 1.00 0.00 C ATOM 255 C GLU A 18 -14.886 6.685 13.887 1.00 0.00 C ATOM 256 O GLU A 18 -15.329 5.937 13.015 1.00 0.00 O ATOM 257 CB GLU A 18 -13.077 5.180 14.612 1.00 0.00 C ATOM 258 CG GLU A 18 -11.724 5.827 14.386 1.00 0.00 C ATOM 259 CD GLU A 18 -11.027 6.168 15.686 1.00 0.00 C ATOM 260 OE1 GLU A 18 -11.250 7.275 16.216 1.00 0.00 O ATOM 261 OE2 GLU A 18 -10.247 5.331 16.186 1.00 0.00 O ATOM 0 H GLU A 18 -15.328 4.542 15.674 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.666 6.957 15.624 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.970 4.385 15.350 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.405 4.712 13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.094 5.154 13.804 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.851 6.734 13.796 1.00 0.00 H new ATOM 268 N GLY A 19 -15.048 7.968 13.854 1.00 0.00 N ATOM 269 CA GLY A 19 -15.750 8.595 12.763 1.00 0.00 C ATOM 270 C GLY A 19 -14.830 9.387 11.879 1.00 0.00 C ATOM 271 O GLY A 19 -15.115 9.617 10.703 1.00 0.00 O ATOM 0 H GLY A 19 -14.706 8.611 14.568 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.253 7.831 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.524 9.251 13.160 1.00 0.00 H new ATOM 275 N GLU A 20 -13.723 9.815 12.436 1.00 0.00 N ATOM 276 CA GLU A 20 -12.747 10.578 11.695 1.00 0.00 C ATOM 277 C GLU A 20 -11.676 9.644 11.142 1.00 0.00 C ATOM 278 O GLU A 20 -10.625 9.431 11.755 1.00 0.00 O ATOM 279 CB GLU A 20 -12.128 11.652 12.586 1.00 0.00 C ATOM 280 CG GLU A 20 -11.350 12.715 11.839 1.00 0.00 C ATOM 281 CD GLU A 20 -10.758 13.744 12.766 1.00 0.00 C ATOM 282 OE1 GLU A 20 -11.528 14.424 13.478 1.00 0.00 O ATOM 283 OE2 GLU A 20 -9.516 13.888 12.785 1.00 0.00 O ATOM 0 H GLU A 20 -13.474 9.646 13.410 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.238 11.076 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.921 12.134 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.464 11.172 13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.552 12.243 11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.008 13.209 11.123 1.00 0.00 H new ATOM 290 N TYR A 21 -11.962 9.067 9.995 1.00 0.00 N ATOM 291 CA TYR A 21 -11.076 8.109 9.366 1.00 0.00 C ATOM 292 C TYR A 21 -11.199 8.201 7.855 1.00 0.00 C ATOM 293 O TYR A 21 -11.965 9.014 7.329 1.00 0.00 O ATOM 294 CB TYR A 21 -11.448 6.684 9.813 1.00 0.00 C ATOM 295 CG TYR A 21 -12.825 6.252 9.341 1.00 0.00 C ATOM 296 CD1 TYR A 21 -13.964 6.656 10.017 1.00 0.00 C ATOM 297 CD2 TYR A 21 -12.983 5.459 8.210 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.219 6.287 9.587 1.00 0.00 C ATOM 299 CE2 TYR A 21 -14.236 5.086 7.770 1.00 0.00 C ATOM 300 CZ TYR A 21 -15.351 5.502 8.461 1.00 0.00 C ATOM 301 OH TYR A 21 -16.601 5.130 8.024 1.00 0.00 O ATOM 0 H TYR A 21 -12.818 9.249 9.470 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.051 8.333 9.662 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.704 5.984 9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.410 6.629 10.901 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.866 7.272 10.898 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.110 5.129 7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.095 6.611 10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -14.341 4.471 6.888 1.00 0.00 H new ATOM 0 HH TYR A 21 -16.515 4.579 7.218 1.00 0.00 H new ATOM 311 N ILE A 22 -10.456 7.369 7.162 1.00 0.00 N ATOM 312 CA ILE A 22 -10.514 7.286 5.720 1.00 0.00 C ATOM 313 C ILE A 22 -10.436 5.824 5.283 1.00 0.00 C ATOM 314 O ILE A 22 -9.708 5.027 5.857 1.00 0.00 O ATOM 315 CB ILE A 22 -9.397 8.141 5.039 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.971 7.543 3.691 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.200 8.293 5.959 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.030 8.427 2.901 1.00 0.00 C ATOM 0 H ILE A 22 -9.789 6.725 7.587 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.467 7.703 5.394 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.813 9.130 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.489 6.581 3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.861 7.349 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.435 8.892 5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.509 8.788 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.795 7.309 6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.774 7.938 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.515 9.381 2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.122 8.600 3.479 1.00 0.00 H new ATOM 330 N LYS A 23 -11.228 5.460 4.306 1.00 0.00 N ATOM 331 CA LYS A 23 -11.230 4.103 3.798 1.00 0.00 C ATOM 332 C LYS A 23 -10.411 4.020 2.521 1.00 0.00 C ATOM 333 O LYS A 23 -10.422 4.937 1.714 1.00 0.00 O ATOM 334 CB LYS A 23 -12.670 3.646 3.526 1.00 0.00 C ATOM 335 CG LYS A 23 -13.437 4.573 2.587 1.00 0.00 C ATOM 336 CD LYS A 23 -14.845 4.069 2.291 1.00 0.00 C ATOM 337 CE LYS A 23 -14.823 2.757 1.522 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.164 2.404 0.991 1.00 0.00 N ATOM 0 H LYS A 23 -11.885 6.086 3.841 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.784 3.448 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.650 2.644 3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.206 3.577 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.496 5.567 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.887 4.674 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.387 3.933 3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.386 4.819 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.114 2.831 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.470 1.959 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.151 1.426 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.871 2.490 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.410 3.049 0.213 1.00 0.00 H new ATOM 352 N LEU A 24 -9.678 2.944 2.342 1.00 0.00 N ATOM 353 CA LEU A 24 -8.904 2.755 1.119 1.00 0.00 C ATOM 354 C LEU A 24 -9.063 1.345 0.584 1.00 0.00 C ATOM 355 O LEU A 24 -9.275 0.396 1.344 1.00 0.00 O ATOM 356 CB LEU A 24 -7.423 3.050 1.361 1.00 0.00 C ATOM 357 CG LEU A 24 -7.069 4.509 1.650 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.600 4.628 1.994 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.403 5.388 0.451 1.00 0.00 C ATOM 0 H LEU A 24 -9.596 2.186 3.019 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.288 3.455 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.084 2.442 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.861 2.727 0.485 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.660 4.849 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.357 5.671 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.383 4.026 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.000 4.273 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.144 6.423 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.835 5.052 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.469 5.319 0.235 1.00 0.00 H new ATOM 371 N LYS A 25 -8.977 1.196 -0.726 1.00 0.00 N ATOM 372 CA LYS A 25 -9.041 -0.103 -1.338 1.00 0.00 C ATOM 373 C LYS A 25 -7.846 -0.327 -2.228 1.00 0.00 C ATOM 374 O LYS A 25 -7.508 0.498 -3.081 1.00 0.00 O ATOM 375 CB LYS A 25 -10.373 -0.327 -2.097 1.00 0.00 C ATOM 376 CG LYS A 25 -10.386 -1.541 -3.056 1.00 0.00 C ATOM 377 CD LYS A 25 -10.002 -1.143 -4.473 1.00 0.00 C ATOM 378 CE LYS A 25 -10.440 -2.173 -5.505 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.919 -2.354 -5.551 1.00 0.00 N ATOM 0 H LYS A 25 -8.862 1.968 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.014 -0.846 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.173 -0.452 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.602 0.571 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.694 -2.300 -2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.379 -1.990 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.453 -0.180 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.921 -1.012 -4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.085 -1.867 -6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.969 -3.130 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.193 -2.737 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.211 -3.015 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.386 -1.436 -5.403 1.00 0.00 H new ATOM 393 N VAL A 26 -7.195 -1.424 -2.013 1.00 0.00 N ATOM 394 CA VAL A 26 -6.067 -1.800 -2.804 1.00 0.00 C ATOM 395 C VAL A 26 -6.518 -2.805 -3.836 1.00 0.00 C ATOM 396 O VAL A 26 -7.280 -3.726 -3.524 1.00 0.00 O ATOM 397 CB VAL A 26 -4.935 -2.390 -1.935 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.799 -2.899 -2.799 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.426 -1.348 -0.952 1.00 0.00 C ATOM 0 H VAL A 26 -7.432 -2.090 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.665 -0.913 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.340 -3.233 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.014 -3.310 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.170 -3.677 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.395 -2.077 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.628 -1.778 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.042 -0.488 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.243 -1.030 -0.304 1.00 0.00 H new ATOM 409 N ILE A 27 -6.093 -2.623 -5.062 1.00 0.00 N ATOM 410 CA ILE A 27 -6.488 -3.502 -6.126 1.00 0.00 C ATOM 411 C ILE A 27 -5.268 -3.996 -6.894 1.00 0.00 C ATOM 412 O ILE A 27 -4.252 -3.318 -6.967 1.00 0.00 O ATOM 413 CB ILE A 27 -7.483 -2.803 -7.095 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.135 -3.827 -8.029 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.789 -1.705 -7.892 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.150 -3.235 -8.984 1.00 0.00 C ATOM 0 H ILE A 27 -5.469 -1.867 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.993 -4.358 -5.678 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.267 -2.337 -6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.355 -4.324 -8.607 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.623 -4.593 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.507 -1.232 -8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.385 -0.959 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.977 -2.138 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.565 -4.025 -9.610 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.952 -2.763 -8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.665 -2.490 -9.614 1.00 0.00 H new ATOM 428 N GLY A 28 -5.365 -5.188 -7.440 1.00 0.00 N ATOM 429 CA GLY A 28 -4.296 -5.743 -8.221 1.00 0.00 C ATOM 430 C GLY A 28 -4.791 -6.170 -9.575 1.00 0.00 C ATOM 431 O GLY A 28 -6.000 -6.340 -9.769 1.00 0.00 O ATOM 0 H GLY A 28 -6.183 -5.791 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.502 -5.005 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.865 -6.598 -7.700 1.00 0.00 H new ATOM 435 N GLN A 29 -3.878 -6.372 -10.525 1.00 0.00 N ATOM 436 CA GLN A 29 -4.259 -6.771 -11.889 1.00 0.00 C ATOM 437 C GLN A 29 -5.029 -8.093 -11.902 1.00 0.00 C ATOM 438 O GLN A 29 -5.746 -8.392 -12.844 1.00 0.00 O ATOM 439 CB GLN A 29 -3.032 -6.886 -12.813 1.00 0.00 C ATOM 440 CG GLN A 29 -2.185 -8.145 -12.599 1.00 0.00 C ATOM 441 CD GLN A 29 -1.212 -8.024 -11.450 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.084 -7.599 -11.631 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.631 -8.424 -10.268 1.00 0.00 N ATOM 0 H GLN A 29 -2.874 -6.268 -10.381 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.911 -5.983 -12.265 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.371 -6.864 -13.849 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.400 -6.010 -12.666 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.846 -8.993 -12.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.632 -8.362 -13.513 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.583 -8.774 -10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.004 -8.384 -9.464 1.00 0.00 H new ATOM 452 N ASP A 30 -4.905 -8.861 -10.831 1.00 0.00 N ATOM 453 CA ASP A 30 -5.547 -10.172 -10.736 1.00 0.00 C ATOM 454 C ASP A 30 -6.955 -10.034 -10.146 1.00 0.00 C ATOM 455 O ASP A 30 -7.549 -10.997 -9.679 1.00 0.00 O ATOM 456 CB ASP A 30 -4.680 -11.107 -9.869 1.00 0.00 C ATOM 457 CG ASP A 30 -5.142 -12.556 -9.896 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.973 -13.218 -10.945 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.669 -13.038 -8.871 1.00 0.00 O ATOM 0 H ASP A 30 -4.363 -8.601 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.640 -10.601 -11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.647 -11.056 -10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.690 -10.749 -8.839 1.00 0.00 H new ATOM 464 N SER A 31 -7.484 -8.804 -10.174 1.00 0.00 N ATOM 465 CA SER A 31 -8.814 -8.493 -9.637 1.00 0.00 C ATOM 466 C SER A 31 -8.817 -8.588 -8.108 1.00 0.00 C ATOM 467 O SER A 31 -9.871 -8.594 -7.467 1.00 0.00 O ATOM 468 CB SER A 31 -9.900 -9.407 -10.258 1.00 0.00 C ATOM 469 OG SER A 31 -11.191 -9.099 -9.751 1.00 0.00 O ATOM 0 H SER A 31 -7.002 -7.997 -10.570 1.00 0.00 H new ATOM 0 HA SER A 31 -9.056 -7.466 -9.912 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.897 -9.293 -11.342 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.664 -10.450 -10.046 1.00 0.00 H new ATOM 0 HG SER A 31 -11.137 -8.958 -8.783 1.00 0.00 H new ATOM 475 N SER A 32 -7.631 -8.637 -7.521 1.00 0.00 N ATOM 476 CA SER A 32 -7.488 -8.713 -6.084 1.00 0.00 C ATOM 477 C SER A 32 -7.841 -7.368 -5.461 1.00 0.00 C ATOM 478 O SER A 32 -7.261 -6.350 -5.809 1.00 0.00 O ATOM 479 CB SER A 32 -6.048 -9.088 -5.730 1.00 0.00 C ATOM 480 OG SER A 32 -5.603 -10.191 -6.508 1.00 0.00 O ATOM 0 H SER A 32 -6.747 -8.625 -8.029 1.00 0.00 H new ATOM 0 HA SER A 32 -8.163 -9.475 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.394 -8.232 -5.898 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.983 -9.336 -4.671 1.00 0.00 H new ATOM 0 HG SER A 32 -4.679 -10.411 -6.265 1.00 0.00 H new ATOM 486 N GLU A 33 -8.808 -7.354 -4.568 1.00 0.00 N ATOM 487 CA GLU A 33 -9.203 -6.118 -3.929 1.00 0.00 C ATOM 488 C GLU A 33 -9.364 -6.289 -2.436 1.00 0.00 C ATOM 489 O GLU A 33 -9.804 -7.333 -1.951 1.00 0.00 O ATOM 490 CB GLU A 33 -10.484 -5.564 -4.537 1.00 0.00 C ATOM 491 CG GLU A 33 -11.714 -6.397 -4.268 1.00 0.00 C ATOM 492 CD GLU A 33 -12.973 -5.670 -4.653 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.081 -4.458 -4.338 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.863 -6.297 -5.256 1.00 0.00 O ATOM 0 H GLU A 33 -9.331 -8.178 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.401 -5.401 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.650 -4.558 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.350 -5.473 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.649 -7.332 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.753 -6.657 -3.210 1.00 0.00 H new ATOM 501 N ILE A 34 -8.991 -5.265 -1.707 1.00 0.00 N ATOM 502 CA ILE A 34 -9.115 -5.248 -0.264 1.00 0.00 C ATOM 503 C ILE A 34 -9.519 -3.860 0.192 1.00 0.00 C ATOM 504 O ILE A 34 -8.954 -2.864 -0.253 1.00 0.00 O ATOM 505 CB ILE A 34 -7.793 -5.648 0.425 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.615 -4.918 -0.226 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.592 -7.160 0.389 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.273 -5.287 0.346 1.00 0.00 C ATOM 0 H ILE A 34 -8.590 -4.413 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.877 -5.975 0.017 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.845 -5.350 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.614 -5.132 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.762 -3.843 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.653 -7.414 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.417 -7.649 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.562 -7.498 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.492 -4.727 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.252 -5.046 1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.102 -6.355 0.212 1.00 0.00 H new ATOM 520 N HIS A 35 -10.508 -3.784 1.050 1.00 0.00 N ATOM 521 CA HIS A 35 -10.999 -2.502 1.539 1.00 0.00 C ATOM 522 C HIS A 35 -10.657 -2.357 3.009 1.00 0.00 C ATOM 523 O HIS A 35 -11.195 -3.066 3.851 1.00 0.00 O ATOM 524 CB HIS A 35 -12.524 -2.387 1.347 1.00 0.00 C ATOM 525 CG HIS A 35 -12.996 -2.461 -0.085 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.995 -1.663 -0.586 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.625 -3.270 -1.106 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.217 -1.976 -1.848 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.399 -2.949 -2.187 1.00 0.00 N ATOM 0 H HIS A 35 -10.996 -4.595 1.430 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.520 -1.707 0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.007 -3.183 1.914 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.858 -1.442 1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.858 -4.030 -1.073 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.947 -1.512 -2.494 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.350 -3.391 -3.105 1.00 0.00 H new ATOM 538 N PHE A 36 -9.764 -1.449 3.324 1.00 0.00 N ATOM 539 CA PHE A 36 -9.329 -1.275 4.698 1.00 0.00 C ATOM 540 C PHE A 36 -9.707 0.080 5.258 1.00 0.00 C ATOM 541 O PHE A 36 -9.936 1.050 4.523 1.00 0.00 O ATOM 542 CB PHE A 36 -7.824 -1.483 4.826 1.00 0.00 C ATOM 543 CG PHE A 36 -7.406 -2.924 4.839 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.364 -3.630 6.031 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.048 -3.570 3.668 1.00 0.00 C ATOM 546 CE1 PHE A 36 -6.976 -4.953 6.054 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.658 -4.894 3.688 1.00 0.00 C ATOM 548 CZ PHE A 36 -6.622 -5.585 4.882 1.00 0.00 C ATOM 0 H PHE A 36 -9.323 -0.819 2.654 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.849 -2.034 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.326 -0.978 3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.478 -1.007 5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.638 -3.138 6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.074 -3.034 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.950 -5.493 6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.381 -5.389 2.769 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.316 -6.621 4.898 1.00 0.00 H new ATOM 558 N LYS A 37 -9.785 0.130 6.565 1.00 0.00 N ATOM 559 CA LYS A 37 -10.075 1.343 7.288 1.00 0.00 C ATOM 560 C LYS A 37 -8.802 1.907 7.854 1.00 0.00 C ATOM 561 O LYS A 37 -8.125 1.262 8.657 1.00 0.00 O ATOM 562 CB LYS A 37 -11.070 1.069 8.398 1.00 0.00 C ATOM 563 CG LYS A 37 -11.426 2.293 9.224 1.00 0.00 C ATOM 564 CD LYS A 37 -12.748 2.107 9.934 1.00 0.00 C ATOM 565 CE LYS A 37 -13.842 1.812 8.930 1.00 0.00 C ATOM 566 NZ LYS A 37 -15.193 1.877 9.534 1.00 0.00 N ATOM 0 H LYS A 37 -9.647 -0.683 7.165 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.515 2.070 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.981 0.660 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.661 0.304 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.641 2.482 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.477 3.169 8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.672 1.290 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.995 3.006 10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.779 2.525 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.684 0.821 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.908 1.668 8.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.264 1.179 10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.357 2.830 9.917 1.00 0.00 H new ATOM 580 N VAL A 38 -8.464 3.105 7.449 1.00 0.00 N ATOM 581 CA VAL A 38 -7.224 3.704 7.858 1.00 0.00 C ATOM 582 C VAL A 38 -7.445 5.101 8.408 1.00 0.00 C ATOM 583 O VAL A 38 -8.555 5.639 8.364 1.00 0.00 O ATOM 584 CB VAL A 38 -6.227 3.749 6.675 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.987 2.349 6.149 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.724 4.661 5.561 1.00 0.00 C ATOM 0 H VAL A 38 -9.035 3.685 6.834 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.802 3.088 8.652 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.286 4.160 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.284 2.389 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.574 1.728 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.930 1.922 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.999 4.669 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.682 4.295 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.847 5.673 5.947 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.435 10.443 11.704 1.00 0.00 O HETATM 597 CH ALY A 39 -4.307 10.451 12.210 1.00 0.00 C HETATM 598 CH3 ALY A 39 -3.627 11.730 12.605 1.00 0.00 C HETATM 599 NZ ALY A 39 -3.630 9.338 12.424 1.00 0.00 N HETATM 600 CE ALY A 39 -4.184 8.181 13.120 1.00 0.00 C HETATM 601 CD ALY A 39 -3.863 6.878 12.403 1.00 0.00 C HETATM 602 CG ALY A 39 -4.361 6.894 10.961 1.00 0.00 C HETATM 603 CB ALY A 39 -5.870 7.110 10.886 1.00 0.00 C HETATM 604 CA ALY A 39 -6.475 7.023 9.464 1.00 0.00 C HETATM 605 N ALY A 39 -6.401 5.682 8.950 1.00 0.00 N HETATM 606 C ALY A 39 -5.773 7.962 8.494 1.00 0.00 C HETATM 607 O ALY A 39 -5.569 7.624 7.331 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.506 12.364 11.727 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -4.233 12.250 13.347 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -2.648 11.506 13.028 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.669 9.284 12.085 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.104 5.952 10.477 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.853 7.685 10.409 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -5.265 8.292 13.204 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -3.787 8.144 14.135 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.320 6.045 12.937 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.786 6.711 12.415 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.519 7.323 9.552 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -6.103 8.089 11.304 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.359 6.369 11.518 1.00 0.00 H new HETATM 0 H ALY A 39 -5.987 4.941 9.516 1.00 0.00 H new ATOM 622 N MET A 40 -5.349 9.101 8.965 1.00 0.00 N ATOM 623 CA MET A 40 -4.762 10.091 8.092 1.00 0.00 C ATOM 624 C MET A 40 -3.303 9.755 7.813 1.00 0.00 C ATOM 625 O MET A 40 -2.829 9.863 6.686 1.00 0.00 O ATOM 626 CB MET A 40 -4.888 11.489 8.710 1.00 0.00 C ATOM 627 CG MET A 40 -4.373 12.634 7.839 1.00 0.00 C ATOM 628 SD MET A 40 -5.546 13.194 6.560 1.00 0.00 S ATOM 629 CE MET A 40 -5.656 11.780 5.457 1.00 0.00 C ATOM 0 H MET A 40 -5.397 9.371 9.947 1.00 0.00 H new ATOM 0 HA MET A 40 -5.302 10.085 7.145 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.937 11.673 8.941 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.346 11.501 9.656 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.124 13.479 8.481 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.449 12.318 7.354 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.774 12.127 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.746 11.185 5.536 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.515 11.168 5.734 1.00 0.00 H new ATOM 639 N THR A 41 -2.601 9.293 8.828 1.00 0.00 N ATOM 640 CA THR A 41 -1.184 9.031 8.712 1.00 0.00 C ATOM 641 C THR A 41 -0.852 7.526 8.734 1.00 0.00 C ATOM 642 O THR A 41 0.272 7.136 9.070 1.00 0.00 O ATOM 643 CB THR A 41 -0.431 9.745 9.842 1.00 0.00 C ATOM 644 OG1 THR A 41 -1.022 9.400 11.107 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.497 11.248 9.652 1.00 0.00 C ATOM 0 H THR A 41 -2.994 9.091 9.747 1.00 0.00 H new ATOM 0 HA THR A 41 -0.865 9.415 7.743 1.00 0.00 H new ATOM 0 HB THR A 41 0.612 9.429 9.822 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.539 9.855 11.828 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.042 11.741 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.042 11.514 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.538 11.570 9.660 1.00 0.00 H new ATOM 653 N THR A 42 -1.811 6.685 8.353 1.00 0.00 N ATOM 654 CA THR A 42 -1.588 5.240 8.319 1.00 0.00 C ATOM 655 C THR A 42 -0.557 4.857 7.263 1.00 0.00 C ATOM 656 O THR A 42 -0.683 5.229 6.094 1.00 0.00 O ATOM 657 CB THR A 42 -2.895 4.471 8.029 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.830 4.693 9.080 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.630 2.975 7.904 1.00 0.00 C ATOM 0 H THR A 42 -2.745 6.976 8.065 1.00 0.00 H new ATOM 0 HA THR A 42 -1.216 4.965 9.306 1.00 0.00 H new ATOM 0 HB THR A 42 -3.302 4.837 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.532 4.224 9.887 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.566 2.455 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.930 2.796 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.204 2.602 8.835 1.00 0.00 H new ATOM 667 N HIS A 43 0.473 4.127 7.672 1.00 0.00 N ATOM 668 CA HIS A 43 1.460 3.631 6.732 1.00 0.00 C ATOM 669 C HIS A 43 0.838 2.557 5.887 1.00 0.00 C ATOM 670 O HIS A 43 0.458 1.495 6.387 1.00 0.00 O ATOM 671 CB HIS A 43 2.697 3.073 7.445 1.00 0.00 C ATOM 672 CG HIS A 43 3.626 4.117 7.970 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.988 3.930 8.080 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.383 5.362 8.426 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.538 5.014 8.585 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.586 5.900 8.803 1.00 0.00 N ATOM 0 H HIS A 43 0.643 3.868 8.644 1.00 0.00 H new ATOM 0 HA HIS A 43 1.785 4.465 6.110 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.372 2.443 8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.243 2.432 6.753 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.419 5.846 8.484 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.590 5.154 8.786 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.723 6.834 9.189 1.00 0.00 H new ATOM 685 N LEU A 44 0.724 2.817 4.606 1.00 0.00 N ATOM 686 CA LEU A 44 0.110 1.872 3.690 1.00 0.00 C ATOM 687 C LEU A 44 0.930 0.612 3.576 1.00 0.00 C ATOM 688 O LEU A 44 0.440 -0.424 3.146 1.00 0.00 O ATOM 689 CB LEU A 44 -0.067 2.498 2.323 1.00 0.00 C ATOM 690 CG LEU A 44 -1.085 3.618 2.248 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.085 4.229 0.868 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.468 3.095 2.604 1.00 0.00 C ATOM 0 H LEU A 44 1.049 3.679 4.168 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.869 1.609 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.897 2.883 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.358 1.718 1.620 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.814 4.391 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.820 5.033 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.096 4.630 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.339 3.466 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.191 3.909 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.751 2.309 1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.455 2.692 3.617 1.00 0.00 H new ATOM 704 N LYS A 45 2.178 0.701 3.957 1.00 0.00 N ATOM 705 CA LYS A 45 3.075 -0.428 3.928 1.00 0.00 C ATOM 706 C LYS A 45 2.504 -1.597 4.733 1.00 0.00 C ATOM 707 O LYS A 45 2.507 -2.744 4.274 1.00 0.00 O ATOM 708 CB LYS A 45 4.438 -0.002 4.470 1.00 0.00 C ATOM 709 CG LYS A 45 5.362 -1.140 4.878 1.00 0.00 C ATOM 710 CD LYS A 45 5.721 -2.044 3.713 1.00 0.00 C ATOM 711 CE LYS A 45 6.512 -1.312 2.653 1.00 0.00 C ATOM 712 NZ LYS A 45 7.189 -2.249 1.732 1.00 0.00 N ATOM 0 H LYS A 45 2.604 1.563 4.298 1.00 0.00 H new ATOM 0 HA LYS A 45 3.192 -0.768 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.941 0.598 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.281 0.644 5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.275 -0.726 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.882 -1.731 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.301 -2.892 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.809 -2.447 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.846 -0.662 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.253 -0.671 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.721 -1.711 1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.843 -2.853 2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.479 -2.844 1.258 1.00 0.00 H new ATOM 726 N LYS A 46 1.986 -1.297 5.919 1.00 0.00 N ATOM 727 CA LYS A 46 1.384 -2.309 6.775 1.00 0.00 C ATOM 728 C LYS A 46 0.194 -2.965 6.078 1.00 0.00 C ATOM 729 O LYS A 46 -0.051 -4.163 6.225 1.00 0.00 O ATOM 730 CB LYS A 46 0.953 -1.688 8.117 1.00 0.00 C ATOM 731 CG LYS A 46 0.101 -2.605 8.994 1.00 0.00 C ATOM 732 CD LYS A 46 0.805 -3.919 9.279 1.00 0.00 C ATOM 733 CE LYS A 46 -0.115 -4.897 9.988 1.00 0.00 C ATOM 734 NZ LYS A 46 0.557 -6.192 10.252 1.00 0.00 N ATOM 0 H LYS A 46 1.972 -0.355 6.310 1.00 0.00 H new ATOM 0 HA LYS A 46 2.128 -3.080 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.845 -1.400 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.393 -0.774 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.126 -2.102 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.850 -2.801 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.153 -4.357 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.687 -3.736 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.451 -4.463 10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.004 -5.066 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.103 -6.833 10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.855 -6.618 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.391 -6.034 10.853 1.00 0.00 H new ATOM 748 N LEU A 47 -0.516 -2.191 5.282 1.00 0.00 N ATOM 749 CA LEU A 47 -1.678 -2.686 4.589 1.00 0.00 C ATOM 750 C LEU A 47 -1.240 -3.601 3.447 1.00 0.00 C ATOM 751 O LEU A 47 -1.747 -4.712 3.287 1.00 0.00 O ATOM 752 CB LEU A 47 -2.512 -1.494 4.055 1.00 0.00 C ATOM 753 CG LEU A 47 -3.927 -1.803 3.521 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.690 -0.514 3.267 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.871 -2.622 2.242 1.00 0.00 C ATOM 0 H LEU A 47 -0.303 -1.210 5.101 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.300 -3.262 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.607 -0.762 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.946 -1.018 3.254 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.445 -2.388 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.686 -0.749 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.777 0.047 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.156 0.086 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.884 -2.822 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.327 -2.067 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.361 -3.566 2.436 1.00 0.00 H new ATOM 767 N LYS A 48 -0.272 -3.142 2.663 1.00 0.00 N ATOM 768 CA LYS A 48 0.188 -3.892 1.503 1.00 0.00 C ATOM 769 C LYS A 48 0.864 -5.186 1.896 1.00 0.00 C ATOM 770 O LYS A 48 0.558 -6.233 1.342 1.00 0.00 O ATOM 771 CB LYS A 48 1.108 -3.055 0.613 1.00 0.00 C ATOM 772 CG LYS A 48 0.374 -2.093 -0.317 1.00 0.00 C ATOM 773 CD LYS A 48 -0.393 -1.054 0.461 1.00 0.00 C ATOM 774 CE LYS A 48 -0.990 0.000 -0.432 1.00 0.00 C ATOM 775 NZ LYS A 48 0.028 0.628 -1.306 1.00 0.00 N ATOM 0 H LYS A 48 0.209 -2.255 2.810 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.702 -4.143 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.786 -2.483 1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.722 -3.726 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.091 -1.602 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.311 -2.652 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.187 -1.540 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.271 -0.581 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.771 -0.446 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.465 0.767 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.310 1.560 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.917 0.742 -0.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.193 0.024 -2.136 1.00 0.00 H new ATOM 789 N GLU A 49 1.808 -5.136 2.829 1.00 0.00 N ATOM 790 CA GLU A 49 2.455 -6.355 3.291 1.00 0.00 C ATOM 791 C GLU A 49 1.453 -7.314 3.927 1.00 0.00 C ATOM 792 O GLU A 49 1.598 -8.533 3.825 1.00 0.00 O ATOM 793 CB GLU A 49 3.613 -6.045 4.232 1.00 0.00 C ATOM 794 CG GLU A 49 4.858 -5.553 3.512 1.00 0.00 C ATOM 795 CD GLU A 49 6.030 -5.347 4.442 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.946 -5.764 5.618 1.00 0.00 O ATOM 797 OE2 GLU A 49 7.039 -4.767 4.005 1.00 0.00 O ATOM 0 H GLU A 49 2.137 -4.279 3.273 1.00 0.00 H new ATOM 0 HA GLU A 49 2.871 -6.858 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.295 -5.290 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.861 -6.942 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.134 -6.272 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.632 -4.614 3.006 1.00 0.00 H new ATOM 804 N SER A 50 0.420 -6.772 4.570 1.00 0.00 N ATOM 805 CA SER A 50 -0.639 -7.604 5.119 1.00 0.00 C ATOM 806 C SER A 50 -1.367 -8.305 3.969 1.00 0.00 C ATOM 807 O SER A 50 -1.766 -9.471 4.064 1.00 0.00 O ATOM 808 CB SER A 50 -1.619 -6.758 5.936 1.00 0.00 C ATOM 809 OG SER A 50 -2.569 -7.570 6.599 1.00 0.00 O ATOM 0 H SER A 50 0.298 -5.771 4.721 1.00 0.00 H new ATOM 0 HA SER A 50 -0.205 -8.350 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.069 -6.166 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.133 -6.056 5.279 1.00 0.00 H new ATOM 0 HG SER A 50 -3.181 -7.004 7.114 1.00 0.00 H new ATOM 815 N TYR A 51 -1.519 -7.588 2.866 1.00 0.00 N ATOM 816 CA TYR A 51 -2.113 -8.122 1.667 1.00 0.00 C ATOM 817 C TYR A 51 -1.220 -9.194 1.070 1.00 0.00 C ATOM 818 O TYR A 51 -1.699 -10.233 0.623 1.00 0.00 O ATOM 819 CB TYR A 51 -2.351 -6.984 0.663 1.00 0.00 C ATOM 820 CG TYR A 51 -2.315 -7.396 -0.790 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.432 -7.927 -1.415 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.154 -7.251 -1.529 1.00 0.00 C ATOM 823 CE1 TYR A 51 -3.392 -8.304 -2.744 1.00 0.00 C ATOM 824 CE2 TYR A 51 -1.101 -7.624 -2.857 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.225 -8.152 -3.460 1.00 0.00 C ATOM 826 OH TYR A 51 -2.185 -8.524 -4.785 1.00 0.00 O ATOM 0 H TYR A 51 -1.229 -6.613 2.785 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.071 -8.581 1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.320 -6.532 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.598 -6.213 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.348 -8.048 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.274 -6.839 -1.058 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.271 -8.715 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.187 -7.504 -3.420 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.290 -8.352 -5.146 1.00 0.00 H new ATOM 836 N CYS A 52 0.085 -8.956 1.072 1.00 0.00 N ATOM 837 CA CYS A 52 1.032 -9.900 0.510 1.00 0.00 C ATOM 838 C CYS A 52 1.025 -11.208 1.279 1.00 0.00 C ATOM 839 O CYS A 52 0.991 -12.273 0.691 1.00 0.00 O ATOM 840 CB CYS A 52 2.438 -9.308 0.506 1.00 0.00 C ATOM 841 SG CYS A 52 2.557 -7.698 -0.299 1.00 0.00 S ATOM 0 H CYS A 52 0.510 -8.113 1.459 1.00 0.00 H new ATOM 0 HA CYS A 52 0.728 -10.104 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.784 -9.214 1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.112 -10.003 0.005 1.00 0.00 H new ATOM 0 HG CYS A 52 1.611 -6.922 0.141 1.00 0.00 H new ATOM 847 N GLN A 53 1.040 -11.129 2.603 1.00 0.00 N ATOM 848 CA GLN A 53 1.055 -12.334 3.429 1.00 0.00 C ATOM 849 C GLN A 53 -0.267 -13.096 3.324 1.00 0.00 C ATOM 850 O GLN A 53 -0.284 -14.323 3.297 1.00 0.00 O ATOM 851 CB GLN A 53 1.393 -12.007 4.893 1.00 0.00 C ATOM 852 CG GLN A 53 0.442 -11.025 5.544 1.00 0.00 C ATOM 853 CD GLN A 53 0.821 -10.683 6.970 1.00 0.00 C ATOM 854 OE1 GLN A 53 1.999 -10.689 7.336 1.00 0.00 O ATOM 855 NE2 GLN A 53 -0.170 -10.382 7.783 1.00 0.00 N ATOM 0 H GLN A 53 1.042 -10.253 3.126 1.00 0.00 H new ATOM 0 HA GLN A 53 1.843 -12.983 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.394 -12.932 5.470 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.404 -11.602 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.414 -10.110 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.565 -11.442 5.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.131 -10.389 7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.023 -10.142 8.755 1.00 0.00 H new ATOM 864 N ARG A 54 -1.381 -12.372 3.258 1.00 0.00 N ATOM 865 CA ARG A 54 -2.686 -13.009 3.115 1.00 0.00 C ATOM 866 C ARG A 54 -2.817 -13.680 1.747 1.00 0.00 C ATOM 867 O ARG A 54 -3.389 -14.760 1.618 1.00 0.00 O ATOM 868 CB ARG A 54 -3.820 -11.990 3.313 1.00 0.00 C ATOM 869 CG ARG A 54 -5.204 -12.584 3.099 1.00 0.00 C ATOM 870 CD ARG A 54 -6.303 -11.545 3.222 1.00 0.00 C ATOM 871 NE ARG A 54 -7.604 -12.105 2.847 1.00 0.00 N ATOM 872 CZ ARG A 54 -8.594 -11.419 2.274 1.00 0.00 C ATOM 873 NH1 ARG A 54 -8.484 -10.112 2.083 1.00 0.00 N ATOM 874 NH2 ARG A 54 -9.706 -12.045 1.909 1.00 0.00 N ATOM 0 H ARG A 54 -1.407 -11.353 3.301 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.768 -13.773 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.760 -11.580 4.321 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.678 -11.159 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.251 -13.044 2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.373 -13.376 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.345 -11.175 4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.074 -10.692 2.584 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.765 -13.094 3.039 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.638 -9.623 2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.246 -9.595 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.802 -13.048 2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.465 -11.523 1.471 1.00 0.00 H new ATOM 888 N GLN A 55 -2.273 -13.040 0.725 1.00 0.00 N ATOM 889 CA GLN A 55 -2.328 -13.568 -0.642 1.00 0.00 C ATOM 890 C GLN A 55 -1.170 -14.533 -0.891 1.00 0.00 C ATOM 891 O GLN A 55 -1.103 -15.211 -1.917 1.00 0.00 O ATOM 892 CB GLN A 55 -2.311 -12.411 -1.654 1.00 0.00 C ATOM 893 CG GLN A 55 -3.681 -11.767 -1.923 1.00 0.00 C ATOM 894 CD GLN A 55 -4.594 -11.708 -0.706 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.378 -12.621 -0.455 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.496 -10.637 0.053 1.00 0.00 N ATOM 0 H GLN A 55 -1.784 -12.149 0.810 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.258 -14.123 -0.770 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.629 -11.642 -1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.907 -12.778 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.527 -10.755 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.183 -12.325 -2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.833 -9.900 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.083 -10.544 0.882 1.00 0.00 H new ATOM 905 N GLY A 56 -0.270 -14.583 0.071 1.00 0.00 N ATOM 906 CA GLY A 56 0.878 -15.466 0.010 1.00 0.00 C ATOM 907 C GLY A 56 1.822 -15.119 -1.125 1.00 0.00 C ATOM 908 O GLY A 56 2.312 -16.001 -1.836 1.00 0.00 O ATOM 0 H GLY A 56 -0.314 -14.013 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.419 -15.418 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.535 -16.494 -0.109 1.00 0.00 H new ATOM 912 N VAL A 57 2.074 -13.836 -1.316 1.00 0.00 N ATOM 913 CA VAL A 57 2.974 -13.395 -2.372 1.00 0.00 C ATOM 914 C VAL A 57 4.199 -12.665 -1.836 1.00 0.00 C ATOM 915 O VAL A 57 4.103 -11.823 -0.940 1.00 0.00 O ATOM 916 CB VAL A 57 2.281 -12.508 -3.429 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.609 -13.365 -4.484 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.281 -11.568 -2.780 1.00 0.00 C ATOM 0 H VAL A 57 1.671 -13.083 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 57 3.297 -14.317 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 57 3.044 -11.900 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.126 -12.723 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.356 -13.986 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.861 -14.003 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.807 -10.955 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.520 -12.149 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.796 -10.924 -2.068 1.00 0.00 H new ATOM 928 N PRO A 58 5.371 -13.007 -2.386 1.00 0.00 N ATOM 929 CA PRO A 58 6.650 -12.370 -2.043 1.00 0.00 C ATOM 930 C PRO A 58 6.661 -10.870 -2.381 1.00 0.00 C ATOM 931 O PRO A 58 6.274 -10.459 -3.481 1.00 0.00 O ATOM 932 CB PRO A 58 7.668 -13.118 -2.920 1.00 0.00 C ATOM 933 CG PRO A 58 6.855 -13.765 -3.993 1.00 0.00 C ATOM 934 CD PRO A 58 5.537 -14.072 -3.383 1.00 0.00 C ATOM 0 HA PRO A 58 6.860 -12.428 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.404 -12.433 -3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.218 -13.860 -2.341 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.742 -13.101 -4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.338 -14.673 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.738 -14.058 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.527 -15.060 -2.922 1.00 0.00 H new ATOM 942 N MET A 59 7.135 -10.055 -1.443 1.00 0.00 N ATOM 943 CA MET A 59 7.160 -8.598 -1.608 1.00 0.00 C ATOM 944 C MET A 59 8.146 -8.161 -2.696 1.00 0.00 C ATOM 945 O MET A 59 8.025 -7.081 -3.262 1.00 0.00 O ATOM 946 CB MET A 59 7.522 -7.910 -0.291 1.00 0.00 C ATOM 947 CG MET A 59 8.916 -8.242 0.195 1.00 0.00 C ATOM 948 SD MET A 59 9.482 -7.176 1.521 1.00 0.00 S ATOM 949 CE MET A 59 11.125 -7.836 1.746 1.00 0.00 C ATOM 0 H MET A 59 7.511 -10.379 -0.552 1.00 0.00 H new ATOM 0 HA MET A 59 6.158 -8.298 -1.914 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.436 -6.831 -0.418 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.800 -8.200 0.473 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.936 -9.277 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.611 -8.169 -0.641 1.00 0.00 H new ATOM 0 HE1 MET A 59 11.632 -7.288 2.541 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.060 -8.890 2.016 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.688 -7.734 0.819 1.00 0.00 H new ATOM 959 N ASN A 60 9.121 -9.004 -2.987 1.00 0.00 N ATOM 960 CA ASN A 60 10.157 -8.670 -3.966 1.00 0.00 C ATOM 961 C ASN A 60 9.650 -8.896 -5.369 1.00 0.00 C ATOM 962 O ASN A 60 10.209 -8.404 -6.344 1.00 0.00 O ATOM 963 CB ASN A 60 11.421 -9.515 -3.725 1.00 0.00 C ATOM 964 CG ASN A 60 11.215 -10.996 -4.043 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.377 -11.428 -5.181 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.874 -11.775 -3.037 1.00 0.00 N ATOM 0 H ASN A 60 9.223 -9.926 -2.563 1.00 0.00 H new ATOM 0 HA ASN A 60 10.410 -7.616 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.234 -9.126 -4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.729 -9.411 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.735 -12.774 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.749 -11.379 -2.105 1.00 0.00 H new ATOM 973 N SER A 61 8.583 -9.633 -5.466 1.00 0.00 N ATOM 974 CA SER A 61 8.014 -9.993 -6.729 1.00 0.00 C ATOM 975 C SER A 61 6.874 -9.066 -7.117 1.00 0.00 C ATOM 976 O SER A 61 6.613 -8.823 -8.298 1.00 0.00 O ATOM 977 CB SER A 61 7.510 -11.403 -6.623 1.00 0.00 C ATOM 978 OG SER A 61 8.571 -12.291 -6.321 1.00 0.00 O ATOM 0 H SER A 61 8.079 -10.005 -4.661 1.00 0.00 H new ATOM 0 HA SER A 61 8.777 -9.907 -7.503 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.746 -11.464 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.038 -11.697 -7.560 1.00 0.00 H new ATOM 0 HG SER A 61 8.255 -13.216 -6.395 1.00 0.00 H new ATOM 984 N LEU A 62 6.200 -8.538 -6.134 1.00 0.00 N ATOM 985 CA LEU A 62 5.063 -7.707 -6.390 1.00 0.00 C ATOM 986 C LEU A 62 5.373 -6.236 -6.068 1.00 0.00 C ATOM 987 O LEU A 62 6.322 -5.932 -5.344 1.00 0.00 O ATOM 988 CB LEU A 62 3.811 -8.296 -5.654 1.00 0.00 C ATOM 989 CG LEU A 62 3.355 -7.692 -4.313 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.493 -7.572 -3.335 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.645 -6.379 -4.526 1.00 0.00 C ATOM 0 H LEU A 62 6.421 -8.670 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 62 4.819 -7.708 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.969 -8.231 -6.343 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.003 -9.356 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 62 2.638 -8.381 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.128 -7.141 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.910 -8.560 -3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.266 -6.928 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.333 -5.974 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.319 -5.676 -5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.768 -6.537 -5.154 1.00 0.00 H new ATOM 1003 N ARG A 63 4.600 -5.335 -6.637 1.00 0.00 N ATOM 1004 CA ARG A 63 4.817 -3.911 -6.453 1.00 0.00 C ATOM 1005 C ARG A 63 3.506 -3.173 -6.184 1.00 0.00 C ATOM 1006 O ARG A 63 2.473 -3.464 -6.798 1.00 0.00 O ATOM 1007 CB ARG A 63 5.476 -3.330 -7.695 1.00 0.00 C ATOM 1008 CG ARG A 63 4.640 -3.500 -8.948 1.00 0.00 C ATOM 1009 CD ARG A 63 5.247 -2.788 -10.126 1.00 0.00 C ATOM 1010 NE ARG A 63 6.496 -3.405 -10.570 1.00 0.00 N ATOM 1011 CZ ARG A 63 7.193 -2.993 -11.630 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.790 -1.936 -12.321 1.00 0.00 N ATOM 1013 NH2 ARG A 63 8.295 -3.633 -11.995 1.00 0.00 N ATOM 0 H ARG A 63 3.808 -5.564 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 63 5.465 -3.780 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.667 -2.269 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.444 -3.810 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.540 -4.561 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.636 -3.116 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.534 -2.784 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.434 -1.747 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 63 6.856 -4.197 -10.038 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.946 -1.436 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.324 -1.622 -13.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.613 -4.444 -11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.825 -3.314 -12.806 1.00 0.00 H new ATOM 1027 N PHE A 64 3.538 -2.233 -5.256 1.00 0.00 N ATOM 1028 CA PHE A 64 2.374 -1.407 -4.957 1.00 0.00 C ATOM 1029 C PHE A 64 2.640 0.027 -5.354 1.00 0.00 C ATOM 1030 O PHE A 64 3.544 0.664 -4.825 1.00 0.00 O ATOM 1031 CB PHE A 64 2.011 -1.451 -3.464 1.00 0.00 C ATOM 1032 CG PHE A 64 2.869 -2.361 -2.629 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.584 -3.708 -2.544 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.952 -1.862 -1.920 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.358 -4.550 -1.773 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.731 -2.699 -1.144 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.434 -4.046 -1.072 1.00 0.00 C ATOM 0 H PHE A 64 4.361 -2.019 -4.692 1.00 0.00 H new ATOM 0 HA PHE A 64 1.537 -1.808 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.077 -0.441 -3.059 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.972 -1.766 -3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.742 -4.109 -3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.188 -0.810 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.122 -5.602 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.571 -2.300 -0.595 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.043 -4.703 -0.468 1.00 0.00 H new ATOM 1047 N LEU A 65 1.860 0.546 -6.273 1.00 0.00 N ATOM 1048 CA LEU A 65 2.064 1.901 -6.728 1.00 0.00 C ATOM 1049 C LEU A 65 0.771 2.705 -6.814 1.00 0.00 C ATOM 1050 O LEU A 65 -0.332 2.159 -6.855 1.00 0.00 O ATOM 1051 CB LEU A 65 2.827 1.908 -8.068 1.00 0.00 C ATOM 1052 CG LEU A 65 2.371 0.891 -9.123 1.00 0.00 C ATOM 1053 CD1 LEU A 65 1.025 1.269 -9.703 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.410 0.767 -10.219 1.00 0.00 C ATOM 0 H LEU A 65 1.084 0.055 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 65 2.673 2.402 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.748 2.906 -8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.883 1.733 -7.860 1.00 0.00 H new ATOM 0 HG LEU A 65 2.262 -0.077 -8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.729 0.530 -10.447 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.281 1.300 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.094 2.250 -10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.073 0.042 -10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.551 1.736 -10.698 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.354 0.433 -9.789 1.00 0.00 H new ATOM 1066 N PHE A 66 0.924 4.009 -6.798 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.177 4.940 -6.949 1.00 0.00 C ATOM 1068 C PHE A 66 0.331 6.169 -7.667 1.00 0.00 C ATOM 1069 O PHE A 66 1.342 6.750 -7.273 1.00 0.00 O ATOM 1070 CB PHE A 66 -0.794 5.321 -5.589 1.00 0.00 C ATOM 1071 CG PHE A 66 -1.909 6.329 -5.699 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.094 5.999 -6.332 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.769 7.607 -5.173 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.117 6.919 -6.445 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.791 8.530 -5.282 1.00 0.00 C ATOM 1076 CZ PHE A 66 -3.967 8.185 -5.919 1.00 0.00 C ATOM 0 H PHE A 66 1.830 4.462 -6.678 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.967 4.465 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.174 4.421 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.013 5.723 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.220 5.008 -6.743 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.852 7.882 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.035 6.647 -6.945 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.671 9.521 -4.869 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.767 8.905 -6.005 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.343 6.544 -8.745 1.00 0.00 N ATOM 1087 CA GLU A 67 0.059 7.686 -9.578 1.00 0.00 C ATOM 1088 C GLU A 67 1.423 7.429 -10.209 1.00 0.00 C ATOM 1089 O GLU A 67 2.163 8.359 -10.558 1.00 0.00 O ATOM 1090 CB GLU A 67 0.079 8.988 -8.759 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.267 9.356 -8.167 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.340 9.514 -9.213 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.872 8.487 -9.689 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -2.651 10.665 -9.576 1.00 0.00 O ATOM 0 H GLU A 67 -1.185 6.070 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.677 7.801 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.806 8.889 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.420 9.803 -9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.569 8.587 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.171 10.287 -7.608 1.00 0.00 H new ATOM 1101 N GLY A 68 1.748 6.153 -10.373 1.00 0.00 N ATOM 1102 CA GLY A 68 3.005 5.764 -10.962 1.00 0.00 C ATOM 1103 C GLY A 68 4.158 5.851 -9.988 1.00 0.00 C ATOM 1104 O GLY A 68 5.318 5.884 -10.389 1.00 0.00 O ATOM 0 H GLY A 68 1.149 5.373 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.926 4.743 -11.335 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.212 6.402 -11.821 1.00 0.00 H new ATOM 1108 N GLN A 69 3.858 5.897 -8.703 1.00 0.00 N ATOM 1109 CA GLN A 69 4.897 5.955 -7.697 1.00 0.00 C ATOM 1110 C GLN A 69 4.776 4.761 -6.774 1.00 0.00 C ATOM 1111 O GLN A 69 3.673 4.403 -6.349 1.00 0.00 O ATOM 1112 CB GLN A 69 4.814 7.276 -6.901 1.00 0.00 C ATOM 1113 CG GLN A 69 3.929 7.232 -5.667 1.00 0.00 C ATOM 1114 CD GLN A 69 3.586 8.608 -5.178 1.00 0.00 C ATOM 1115 OE1 GLN A 69 4.313 9.197 -4.386 1.00 0.00 O ATOM 1116 NE2 GLN A 69 2.461 9.116 -5.626 1.00 0.00 N ATOM 0 H GLN A 69 2.907 5.895 -8.334 1.00 0.00 H new ATOM 0 HA GLN A 69 5.870 5.925 -8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.821 7.562 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.447 8.059 -7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.012 6.689 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.436 6.681 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.889 8.587 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.159 10.039 -5.315 1.00 0.00 H new ATOM 1125 N ARG A 70 5.886 4.117 -6.478 1.00 0.00 N ATOM 1126 CA ARG A 70 5.864 2.980 -5.584 1.00 0.00 C ATOM 1127 C ARG A 70 5.579 3.448 -4.174 1.00 0.00 C ATOM 1128 O ARG A 70 6.136 4.443 -3.704 1.00 0.00 O ATOM 1129 CB ARG A 70 7.174 2.147 -5.653 1.00 0.00 C ATOM 1130 CG ARG A 70 8.426 2.792 -5.041 1.00 0.00 C ATOM 1131 CD ARG A 70 8.790 4.112 -5.704 1.00 0.00 C ATOM 1132 NE ARG A 70 8.789 4.025 -7.169 1.00 0.00 N ATOM 1133 CZ ARG A 70 9.077 5.046 -7.979 1.00 0.00 C ATOM 1134 NH1 ARG A 70 9.444 6.218 -7.471 1.00 0.00 N ATOM 1135 NH2 ARG A 70 8.998 4.891 -9.292 1.00 0.00 N ATOM 0 H ARG A 70 6.808 4.360 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 70 5.065 2.312 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.000 1.195 -5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.382 1.923 -6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.261 2.958 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.265 2.102 -5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.084 4.880 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.776 4.426 -5.363 1.00 0.00 H new ATOM 0 HE ARG A 70 8.554 3.128 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.506 6.339 -6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.664 6.997 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.717 3.992 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.218 5.671 -9.912 1.00 0.00 H new ATOM 1149 N ILE A 71 4.679 2.777 -3.514 1.00 0.00 N ATOM 1150 CA ILE A 71 4.296 3.155 -2.185 1.00 0.00 C ATOM 1151 C ILE A 71 5.388 2.809 -1.195 1.00 0.00 C ATOM 1152 O ILE A 71 5.571 1.647 -0.826 1.00 0.00 O ATOM 1153 CB ILE A 71 2.968 2.492 -1.764 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.908 2.676 -2.863 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.479 3.072 -0.445 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.672 4.117 -3.272 1.00 0.00 C ATOM 0 H ILE A 71 4.193 1.958 -3.879 1.00 0.00 H new ATOM 0 HA ILE A 71 4.147 4.235 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 71 3.140 1.425 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.211 2.107 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.966 2.251 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.541 2.593 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.225 2.894 0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.320 4.145 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.910 4.154 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.336 4.690 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.600 4.544 -3.652 1.00 0.00 H new ATOM 1168 N ALA A 72 6.136 3.828 -0.795 1.00 0.00 N ATOM 1169 CA ALA A 72 7.214 3.681 0.163 1.00 0.00 C ATOM 1170 C ALA A 72 6.702 3.142 1.484 1.00 0.00 C ATOM 1171 O ALA A 72 5.502 3.206 1.783 1.00 0.00 O ATOM 1172 CB ALA A 72 7.904 5.015 0.384 1.00 0.00 C ATOM 0 H ALA A 72 6.008 4.783 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 72 7.930 2.967 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.712 4.892 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.313 5.374 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.184 5.738 0.766 1.00 0.00 H new ATOM 1178 N ASP A 73 7.615 2.642 2.292 1.00 0.00 N ATOM 1179 CA ASP A 73 7.277 2.075 3.590 1.00 0.00 C ATOM 1180 C ASP A 73 6.688 3.131 4.514 1.00 0.00 C ATOM 1181 O ASP A 73 5.950 2.821 5.447 1.00 0.00 O ATOM 1182 CB ASP A 73 8.513 1.442 4.242 1.00 0.00 C ATOM 1183 CG ASP A 73 9.573 2.459 4.604 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.272 2.944 3.690 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.719 2.774 5.800 1.00 0.00 O ATOM 0 H ASP A 73 8.611 2.615 2.072 1.00 0.00 H new ATOM 0 HA ASP A 73 6.526 1.301 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.209 0.906 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.940 0.706 3.561 1.00 0.00 H new ATOM 1190 N ASN A 74 6.986 4.383 4.234 1.00 0.00 N ATOM 1191 CA ASN A 74 6.521 5.484 5.054 1.00 0.00 C ATOM 1192 C ASN A 74 5.455 6.305 4.327 1.00 0.00 C ATOM 1193 O ASN A 74 5.105 7.409 4.753 1.00 0.00 O ATOM 1194 CB ASN A 74 7.705 6.375 5.464 1.00 0.00 C ATOM 1195 CG ASN A 74 8.522 6.882 4.279 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.998 7.094 3.180 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.809 7.064 4.491 1.00 0.00 N ATOM 0 H ASN A 74 7.555 4.666 3.436 1.00 0.00 H new ATOM 0 HA ASN A 74 6.064 5.070 5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.329 7.229 6.028 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.358 5.814 6.132 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.409 7.391 3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.205 6.878 5.412 1.00 0.00 H new ATOM 1204 N HIS A 75 4.924 5.770 3.230 1.00 0.00 N ATOM 1205 CA HIS A 75 3.897 6.480 2.484 1.00 0.00 C ATOM 1206 C HIS A 75 2.531 6.276 3.110 1.00 0.00 C ATOM 1207 O HIS A 75 2.178 5.170 3.537 1.00 0.00 O ATOM 1208 CB HIS A 75 3.877 6.063 1.016 1.00 0.00 C ATOM 1209 CG HIS A 75 4.603 7.011 0.113 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.706 6.824 -1.249 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.243 8.177 0.375 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.371 7.832 -1.778 1.00 0.00 C ATOM 1213 NE2 HIS A 75 5.708 8.664 -0.814 1.00 0.00 N ATOM 0 H HIS A 75 5.185 4.862 2.845 1.00 0.00 H new ATOM 0 HA HIS A 75 4.143 7.541 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.322 5.072 0.922 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.842 5.980 0.685 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.363 8.636 1.345 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.601 7.955 -2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.231 9.531 -0.935 1.00 0.00 H new ATOM 1222 N THR A 76 1.759 7.341 3.157 1.00 0.00 N ATOM 1223 CA THR A 76 0.447 7.333 3.780 1.00 0.00 C ATOM 1224 C THR A 76 -0.564 8.019 2.868 1.00 0.00 C ATOM 1225 O THR A 76 -0.171 8.675 1.897 1.00 0.00 O ATOM 1226 CB THR A 76 0.514 8.121 5.104 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.842 9.482 4.826 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.578 7.558 5.997 1.00 0.00 C ATOM 0 H THR A 76 2.023 8.244 2.762 1.00 0.00 H new ATOM 0 HA THR A 76 0.144 6.301 3.960 1.00 0.00 H new ATOM 0 HB THR A 76 -0.455 8.049 5.598 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.679 9.716 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.611 8.126 6.927 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.353 6.514 6.217 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.544 7.623 5.497 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.881 7.884 3.150 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.910 8.579 2.381 1.00 0.00 C ATOM 1238 C PRO A 77 -2.732 10.091 2.441 1.00 0.00 C ATOM 1239 O PRO A 77 -3.016 10.800 1.478 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.227 8.168 3.053 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.839 7.597 4.375 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.467 7.025 4.198 1.00 0.00 C ATOM 0 HA PRO A 77 -2.871 8.317 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.889 9.025 3.175 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.763 7.434 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.843 8.366 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.544 6.827 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.891 7.066 5.122 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.502 5.980 3.890 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.239 10.586 3.573 1.00 0.00 N ATOM 1251 CA LYS A 78 -2.019 12.010 3.747 1.00 0.00 C ATOM 1252 C LYS A 78 -0.780 12.451 2.977 1.00 0.00 C ATOM 1253 O LYS A 78 -0.703 13.578 2.486 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.887 12.355 5.246 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.567 11.934 5.893 1.00 0.00 C ATOM 1256 CD LYS A 78 0.448 13.060 5.878 1.00 0.00 C ATOM 1257 CE LYS A 78 1.820 12.583 6.310 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.848 13.640 6.138 1.00 0.00 N ATOM 0 H LYS A 78 -1.986 10.018 4.381 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.879 12.549 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.006 13.432 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.706 11.881 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.749 11.622 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.161 11.071 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.509 13.482 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.115 13.859 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.786 12.275 7.355 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.100 11.705 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.770 13.283 6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.910 13.904 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.585 14.475 6.700 1.00 0.00 H new ATOM 1272 N GLU A 79 0.188 11.547 2.853 1.00 0.00 N ATOM 1273 CA GLU A 79 1.431 11.853 2.181 1.00 0.00 C ATOM 1274 C GLU A 79 1.211 11.856 0.677 1.00 0.00 C ATOM 1275 O GLU A 79 1.670 12.742 -0.038 1.00 0.00 O ATOM 1276 CB GLU A 79 2.489 10.816 2.545 1.00 0.00 C ATOM 1277 CG GLU A 79 3.912 11.341 2.503 1.00 0.00 C ATOM 1278 CD GLU A 79 4.187 12.367 3.585 1.00 0.00 C ATOM 1279 OE1 GLU A 79 3.743 13.526 3.443 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.829 12.011 4.597 1.00 0.00 O ATOM 0 H GLU A 79 0.127 10.595 3.213 1.00 0.00 H new ATOM 0 HA GLU A 79 1.775 12.838 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.282 10.438 3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.405 9.971 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.606 10.508 2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.102 11.788 1.527 1.00 0.00 H new ATOM 1287 N LEU A 80 0.493 10.858 0.205 1.00 0.00 N ATOM 1288 CA LEU A 80 0.197 10.706 -1.211 1.00 0.00 C ATOM 1289 C LEU A 80 -0.931 11.633 -1.651 1.00 0.00 C ATOM 1290 O LEU A 80 -1.172 11.814 -2.842 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.168 9.252 -1.487 1.00 0.00 C ATOM 1292 CG LEU A 80 0.950 8.252 -1.211 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.417 6.846 -1.150 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.017 8.361 -2.271 1.00 0.00 C ATOM 0 H LEU A 80 0.095 10.125 0.792 1.00 0.00 H new ATOM 0 HA LEU A 80 1.081 10.981 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.033 8.987 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.471 9.159 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 80 1.387 8.489 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.236 6.155 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.322 6.771 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.050 6.592 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.810 7.643 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.582 8.150 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.431 9.369 -2.268 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.621 12.223 -0.685 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.709 13.130 -0.995 1.00 0.00 C ATOM 1308 C GLY A 81 -3.875 12.426 -1.657 1.00 0.00 C ATOM 1309 O GLY A 81 -4.431 12.910 -2.637 1.00 0.00 O ATOM 0 H GLY A 81 -1.446 12.089 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.051 13.610 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.344 13.920 -1.652 1.00 0.00 H new ATOM 1313 N MET A 82 -4.245 11.273 -1.129 1.00 0.00 N ATOM 1314 CA MET A 82 -5.353 10.502 -1.674 1.00 0.00 C ATOM 1315 C MET A 82 -6.657 10.867 -0.978 1.00 0.00 C ATOM 1316 O MET A 82 -6.658 11.552 0.050 1.00 0.00 O ATOM 1317 CB MET A 82 -5.087 9.009 -1.517 1.00 0.00 C ATOM 1318 CG MET A 82 -3.840 8.543 -2.235 1.00 0.00 C ATOM 1319 SD MET A 82 -3.589 6.764 -2.132 1.00 0.00 S ATOM 1320 CE MET A 82 -3.338 6.561 -0.382 1.00 0.00 C ATOM 0 H MET A 82 -3.793 10.847 -0.320 1.00 0.00 H new ATOM 0 HA MET A 82 -5.443 10.740 -2.734 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.997 8.773 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.945 8.453 -1.895 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.901 8.835 -3.283 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.973 9.051 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.257 5.500 -0.147 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.421 7.070 -0.085 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.182 6.989 0.159 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.767 10.415 -1.530 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.071 10.679 -0.944 1.00 0.00 C ATOM 1332 C GLU A 83 -9.619 9.419 -0.303 1.00 0.00 C ATOM 1333 O GLU A 83 -9.001 8.355 -0.365 1.00 0.00 O ATOM 1334 CB GLU A 83 -10.053 11.160 -2.008 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.629 12.419 -2.735 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.684 12.890 -3.701 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -10.747 12.362 -4.828 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -11.479 13.774 -3.333 1.00 0.00 O ATOM 0 H GLU A 83 -7.793 9.861 -2.386 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.951 11.456 -0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.194 10.364 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.020 11.336 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.424 13.206 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.700 12.232 -3.274 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.775 9.529 0.320 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.417 8.371 0.897 1.00 0.00 C ATOM 1347 C GLU A 84 -12.040 7.521 -0.194 1.00 0.00 C ATOM 1348 O GLU A 84 -12.589 8.039 -1.172 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.466 8.766 1.930 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.352 9.907 1.483 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.539 10.137 2.389 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.463 9.295 2.394 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.564 11.171 3.084 1.00 0.00 O ATOM 0 H GLU A 84 -11.285 10.405 0.438 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.654 7.787 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.088 7.900 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.965 9.047 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.759 10.820 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.709 9.705 0.473 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.922 6.212 -0.032 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.430 5.227 -0.976 1.00 0.00 C ATOM 1362 C GLU A 85 -11.583 5.240 -2.247 1.00 0.00 C ATOM 1363 O GLU A 85 -12.004 4.788 -3.318 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.922 5.456 -1.282 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.592 4.277 -1.967 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.073 4.467 -2.133 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.824 4.211 -1.158 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.506 4.853 -3.232 1.00 0.00 O ATOM 0 H GLU A 85 -11.461 5.795 0.777 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.353 4.239 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.446 5.670 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.023 6.338 -1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.138 4.125 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.409 3.373 -1.386 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.369 5.757 -2.120 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.444 5.809 -3.241 1.00 0.00 C ATOM 1377 C ASP A 86 -8.888 4.418 -3.525 1.00 0.00 C ATOM 1378 O ASP A 86 -9.106 3.476 -2.745 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.306 6.789 -2.967 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.957 7.604 -4.189 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.784 7.009 -5.272 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.898 8.854 -4.081 1.00 0.00 O ATOM 0 H ASP A 86 -10.003 6.146 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.988 6.160 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.590 7.457 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.426 6.239 -2.634 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.156 4.270 -4.618 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.662 2.959 -5.010 1.00 0.00 C ATOM 1389 C VAL A 87 -6.169 2.963 -5.331 1.00 0.00 C ATOM 1390 O VAL A 87 -5.657 3.829 -6.045 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.453 2.370 -6.215 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -9.926 2.245 -5.880 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.266 3.215 -7.470 1.00 0.00 C ATOM 0 H VAL A 87 -7.893 5.032 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.820 2.320 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.054 1.376 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.460 1.832 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.049 1.585 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.330 3.229 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.831 2.776 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.624 4.228 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.209 3.247 -7.733 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.473 1.987 -4.787 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.055 1.798 -5.050 1.00 0.00 C ATOM 1405 C ILE A 88 -3.896 0.657 -6.038 1.00 0.00 C ATOM 1406 O ILE A 88 -4.645 -0.317 -5.986 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.253 1.484 -3.736 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.004 2.760 -2.915 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -1.928 0.792 -4.039 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.252 3.403 -2.369 1.00 0.00 C ATOM 0 H ILE A 88 -5.872 1.299 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.650 2.722 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.867 0.804 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.341 2.519 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.481 3.483 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.401 0.591 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.118 -0.147 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.316 1.437 -4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.984 4.296 -1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.909 3.679 -3.193 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.767 2.700 -1.714 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.924 0.756 -6.925 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.722 -0.263 -7.935 1.00 0.00 C ATOM 1424 C GLU A 89 -1.577 -1.184 -7.521 1.00 0.00 C ATOM 1425 O GLU A 89 -0.542 -0.728 -7.013 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.424 0.385 -9.281 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.284 -0.603 -10.419 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.583 -1.306 -10.735 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.372 -0.765 -11.538 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.825 -2.393 -10.187 1.00 0.00 O ATOM 0 H GLU A 89 -2.263 1.532 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.632 -0.856 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.222 1.088 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.504 0.963 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.931 -0.081 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.526 -1.344 -10.162 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.753 -2.470 -7.715 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.755 -3.442 -7.334 1.00 0.00 C ATOM 1439 C VAL A 90 -0.525 -4.473 -8.436 1.00 0.00 C ATOM 1440 O VAL A 90 -1.465 -5.058 -8.984 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.145 -4.162 -6.008 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.324 -5.421 -5.811 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -0.956 -3.233 -4.821 1.00 0.00 C ATOM 0 H VAL A 90 -2.589 -2.871 -8.140 1.00 0.00 H new ATOM 0 HA VAL A 90 0.175 -2.896 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.196 -4.441 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.616 -5.904 -4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.499 -6.103 -6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.734 -5.163 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.233 -3.753 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.088 -2.926 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.587 -2.353 -4.944 1.00 0.00 H new ATOM 1453 N TYR A 91 0.730 -4.697 -8.766 1.00 0.00 N ATOM 1454 CA TYR A 91 1.093 -5.683 -9.754 1.00 0.00 C ATOM 1455 C TYR A 91 1.934 -6.754 -9.104 1.00 0.00 C ATOM 1456 O TYR A 91 2.720 -6.472 -8.212 1.00 0.00 O ATOM 1457 CB TYR A 91 1.845 -5.045 -10.917 1.00 0.00 C ATOM 1458 CG TYR A 91 1.039 -4.007 -11.658 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.018 -4.384 -12.519 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.291 -2.652 -11.494 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.726 -3.445 -13.196 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.549 -1.706 -12.168 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.458 -2.108 -13.020 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.200 -1.168 -13.695 1.00 0.00 O ATOM 0 H TYR A 91 1.522 -4.201 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 91 0.184 -6.130 -10.156 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.758 -4.584 -10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.148 -5.825 -11.615 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.196 -5.433 -12.660 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.080 -2.334 -10.829 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.517 -3.757 -13.862 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.755 -0.655 -12.030 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.884 -0.271 -13.459 1.00 0.00 H new ATOM 1474 N GLN A 92 1.771 -7.986 -9.525 1.00 0.00 N ATOM 1475 CA GLN A 92 2.497 -9.075 -8.912 1.00 0.00 C ATOM 1476 C GLN A 92 3.117 -10.000 -9.938 1.00 0.00 C ATOM 1477 O GLN A 92 2.450 -10.487 -10.851 1.00 0.00 O ATOM 1478 CB GLN A 92 1.589 -9.867 -7.960 1.00 0.00 C ATOM 1479 CG GLN A 92 0.405 -10.541 -8.640 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.484 -11.291 -7.671 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.106 -12.285 -8.026 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.553 -10.821 -6.441 1.00 0.00 N ATOM 0 H GLN A 92 1.147 -8.259 -10.284 1.00 0.00 H new ATOM 0 HA GLN A 92 3.311 -8.631 -8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.185 -10.628 -7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.215 -9.193 -7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.187 -9.787 -9.159 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.773 -11.233 -9.397 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.021 -9.991 -6.182 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.139 -11.288 -5.749 1.00 0.00 H new ATOM 1491 N GLU A 93 4.400 -10.218 -9.805 1.00 0.00 N ATOM 1492 CA GLU A 93 5.097 -11.169 -10.621 1.00 0.00 C ATOM 1493 C GLU A 93 5.282 -12.431 -9.799 1.00 0.00 C ATOM 1494 O GLU A 93 5.179 -12.391 -8.573 1.00 0.00 O ATOM 1495 CB GLU A 93 6.433 -10.596 -11.071 1.00 0.00 C ATOM 1496 CG GLU A 93 6.283 -9.352 -11.933 1.00 0.00 C ATOM 1497 CD GLU A 93 7.604 -8.728 -12.295 1.00 0.00 C ATOM 1498 OE1 GLU A 93 8.273 -9.241 -13.216 1.00 0.00 O ATOM 1499 OE2 GLU A 93 7.978 -7.718 -11.671 1.00 0.00 O ATOM 0 H GLU A 93 4.989 -9.738 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 93 4.529 -11.399 -11.522 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.033 -10.354 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.979 -11.356 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.747 -9.611 -12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.674 -8.620 -11.403 1.00 0.00 H new ATOM 1506 N GLN A 94 5.547 -13.547 -10.438 1.00 0.00 N ATOM 1507 CA GLN A 94 5.633 -14.808 -9.716 1.00 0.00 C ATOM 1508 C GLN A 94 7.005 -15.433 -9.889 1.00 0.00 C ATOM 1509 O GLN A 94 7.296 -16.493 -9.339 1.00 0.00 O ATOM 1510 CB GLN A 94 4.561 -15.762 -10.229 1.00 0.00 C ATOM 1511 CG GLN A 94 3.208 -15.100 -10.422 1.00 0.00 C ATOM 1512 CD GLN A 94 2.247 -15.964 -11.190 1.00 0.00 C ATOM 1513 OE1 GLN A 94 1.440 -16.695 -10.612 1.00 0.00 O ATOM 1514 NE2 GLN A 94 2.348 -15.909 -12.504 1.00 0.00 N ATOM 0 H GLN A 94 5.706 -13.615 -11.443 1.00 0.00 H new ATOM 0 HA GLN A 94 5.474 -14.616 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.888 -16.188 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.456 -16.590 -9.528 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.780 -14.865 -9.447 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.342 -14.155 -10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.031 -15.288 -12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.743 -16.487 -13.087 1.00 0.00 H new ATOM 1523 N THR A 95 7.849 -14.777 -10.655 1.00 0.00 N ATOM 1524 CA THR A 95 9.180 -15.272 -10.927 1.00 0.00 C ATOM 1525 C THR A 95 10.071 -15.209 -9.685 1.00 0.00 C ATOM 1526 O THR A 95 10.894 -16.094 -9.447 1.00 0.00 O ATOM 1527 CB THR A 95 9.814 -14.485 -12.082 1.00 0.00 C ATOM 1528 OG1 THR A 95 9.680 -13.073 -11.834 1.00 0.00 O ATOM 1529 CG2 THR A 95 9.122 -14.833 -13.391 1.00 0.00 C ATOM 0 H THR A 95 7.633 -13.888 -11.106 1.00 0.00 H new ATOM 0 HA THR A 95 9.092 -16.319 -11.216 1.00 0.00 H new ATOM 0 HB THR A 95 10.870 -14.748 -12.153 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.087 -12.571 -12.571 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.579 -14.270 -14.205 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.226 -15.900 -13.585 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.064 -14.578 -13.322 1.00 0.00 H new ATOM 1537 N GLY A 96 9.899 -14.174 -8.885 1.00 0.00 N ATOM 1538 CA GLY A 96 10.680 -14.041 -7.679 1.00 0.00 C ATOM 1539 C GLY A 96 11.870 -13.130 -7.863 1.00 0.00 C ATOM 1540 O GLY A 96 11.740 -12.019 -8.379 1.00 0.00 O ATOM 0 H GLY A 96 9.231 -13.421 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.048 -13.652 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.025 -15.025 -7.362 1.00 0.00 H new ATOM 1544 N GLY A 97 13.034 -13.593 -7.457 1.00 0.00 N ATOM 1545 CA GLY A 97 14.228 -12.795 -7.575 1.00 0.00 C ATOM 1546 C GLY A 97 15.134 -13.316 -8.655 1.00 0.00 C ATOM 1547 O GLY A 97 15.882 -12.522 -9.246 1.00 0.00 O ATOM 1548 OXT GLY A 97 15.094 -14.531 -8.931 1.00 0.00 O ATOM 0 H GLY A 97 13.175 -14.515 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.957 -11.762 -7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.760 -12.791 -6.623 1.00 0.00 H new TER 1552 GLY A 97