USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=26 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= -1.2! K(o=-1.2!,f=-0.021) USER MOD Set 2.1: A 69 GLN : amide:sc= 0.501 K(o=-2.2,f=-3.7) USER MOD Set 2.2: A 75 HIS : no HD1:sc= -2.7 K(o=-2.2,f=-3.4!) USER MOD Set 3.1: A 25 LYS NZ :NH3+ 155:sc= 0.831 (180deg=-0.191) USER MOD Set 3.2: A 35 HIS : no HE2:sc= -1.51! C(o=-0.68!,f=-7.4!) USER MOD Set 4.1: A 7 LYS NZ :NH3+ -122:sc= 0.465 (180deg=-0.581) USER MOD Set 4.2: A 10 THR OG1 : rot 180:sc= 0.414 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.21 (180deg=0.889) 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0571) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.7! C(o=-4.7!,f=-12!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.302 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -148:sc= -2.33! (180deg=-3.98!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.814 USER MOD Single : A 42 THR OG1 : rot -78:sc= -3.62! USER MOD Single : A 43 HIS : no HE2:sc= -0.262 K(o=-0.26,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= -0.0402 (180deg=-2.02!) USER MOD Single : A 46 LYS NZ :NH3+ 133:sc= -1.9 (180deg=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -3.19 (180deg=-6.49!) USER MOD Single : A 50 SER OG : rot 71:sc= 0.657 USER MOD Single : A 52 CYS SG : rot 68:sc= -0.133 USER MOD Single : A 53 GLN : amide:sc= 0.761 K(o=0.76,f=-0.64) USER MOD Single : A 55 GLN : amide:sc=-0.000321 K(o=-0.00032,f=-0.61) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.276 X(o=0.28,f=-0.19) USER MOD Single : A 61 SER OG : rot -30:sc= -0.181 USER MOD Single : A 74 ASN : amide:sc= 0.406 K(o=0.41,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot -150:sc= -1.77! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 178:sc= -5.27! (180deg=-5.31!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.038 -3.743 18.350 1.00 0.00 N ATOM 2 CA MET A 1 0.617 -3.617 18.751 1.00 0.00 C ATOM 3 C MET A 1 -0.290 -3.885 17.562 1.00 0.00 C ATOM 4 O MET A 1 -1.040 -4.859 17.543 1.00 0.00 O ATOM 5 CB MET A 1 0.334 -2.221 19.328 1.00 0.00 C ATOM 6 CG MET A 1 -1.130 -1.982 19.686 1.00 0.00 C ATOM 7 SD MET A 1 -1.429 -0.314 20.306 1.00 0.00 S ATOM 8 CE MET A 1 -3.212 -0.336 20.496 1.00 0.00 C ATOM 0 H1 MET A 1 2.627 -3.880 19.196 1.00 0.00 H new ATOM 0 H2 MET A 1 2.149 -4.560 17.716 1.00 0.00 H new ATOM 0 H3 MET A 1 2.337 -2.878 17.856 1.00 0.00 H new ATOM 0 HA MET A 1 0.414 -4.356 19.526 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.944 -2.078 20.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.648 -1.469 18.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.748 -2.155 18.805 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.439 -2.707 20.439 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.550 0.629 20.873 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.678 -0.532 19.530 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.493 -1.119 21.200 1.00 0.00 H new ATOM 18 N SER A 2 -0.230 -3.022 16.565 1.00 0.00 N ATOM 19 CA SER A 2 -1.004 -3.210 15.366 1.00 0.00 C ATOM 20 C SER A 2 -0.170 -3.996 14.373 1.00 0.00 C ATOM 21 O SER A 2 0.434 -3.443 13.463 1.00 0.00 O ATOM 22 CB SER A 2 -1.432 -1.863 14.771 1.00 0.00 C ATOM 23 OG SER A 2 -2.323 -2.038 13.676 1.00 0.00 O ATOM 0 H SER A 2 0.351 -2.183 16.568 1.00 0.00 H new ATOM 0 HA SER A 2 -1.914 -3.762 15.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.914 -1.260 15.541 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.551 -1.313 14.440 1.00 0.00 H new ATOM 0 HG SER A 2 -2.579 -1.162 13.319 1.00 0.00 H new ATOM 29 N ASP A 3 -0.086 -5.284 14.595 1.00 0.00 N ATOM 30 CA ASP A 3 0.705 -6.157 13.750 1.00 0.00 C ATOM 31 C ASP A 3 -0.197 -6.927 12.817 1.00 0.00 C ATOM 32 O ASP A 3 -0.009 -6.928 11.601 1.00 0.00 O ATOM 33 CB ASP A 3 1.542 -7.106 14.608 1.00 0.00 C ATOM 34 CG ASP A 3 2.541 -6.361 15.476 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.183 -5.968 16.614 1.00 0.00 O ATOM 36 OD2 ASP A 3 3.688 -6.153 15.023 1.00 0.00 O ATOM 0 H ASP A 3 -0.560 -5.760 15.362 1.00 0.00 H new ATOM 0 HA ASP A 3 1.385 -5.553 13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.882 -7.698 15.242 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.074 -7.804 13.962 1.00 0.00 H new ATOM 41 N GLN A 4 -1.191 -7.562 13.383 1.00 0.00 N ATOM 42 CA GLN A 4 -2.176 -8.297 12.626 1.00 0.00 C ATOM 43 C GLN A 4 -3.542 -7.798 13.020 1.00 0.00 C ATOM 44 O GLN A 4 -3.652 -6.892 13.853 1.00 0.00 O ATOM 45 CB GLN A 4 -2.062 -9.794 12.905 1.00 0.00 C ATOM 46 CG GLN A 4 -0.810 -10.440 12.339 1.00 0.00 C ATOM 47 CD GLN A 4 -0.675 -11.886 12.756 1.00 0.00 C ATOM 48 OE1 GLN A 4 -0.059 -12.192 13.776 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.250 -12.782 11.986 1.00 0.00 N ATOM 0 H GLN A 4 -1.342 -7.585 14.391 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.011 -8.143 11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.084 -9.954 13.983 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.936 -10.297 12.490 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -0.831 -10.378 11.251 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.066 -9.884 12.673 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.752 -12.488 11.148 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.195 -13.772 12.226 1.00 0.00 H new ATOM 58 N GLU A 5 -4.589 -8.355 12.432 1.00 0.00 N ATOM 59 CA GLU A 5 -5.932 -7.955 12.796 1.00 0.00 C ATOM 60 C GLU A 5 -6.179 -8.241 14.270 1.00 0.00 C ATOM 61 O GLU A 5 -6.091 -9.385 14.732 1.00 0.00 O ATOM 62 CB GLU A 5 -6.980 -8.644 11.926 1.00 0.00 C ATOM 63 CG GLU A 5 -6.912 -10.166 11.952 1.00 0.00 C ATOM 64 CD GLU A 5 -7.935 -10.814 11.048 1.00 0.00 C ATOM 65 OE1 GLU A 5 -9.129 -10.811 11.399 1.00 0.00 O ATOM 66 OE2 GLU A 5 -7.548 -11.337 9.984 1.00 0.00 O ATOM 0 H GLU A 5 -4.534 -9.075 11.711 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.024 -6.883 12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.971 -8.330 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.862 -8.304 10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.914 -10.486 11.651 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.064 -10.514 12.974 1.00 0.00 H new ATOM 73 N ALA A 6 -6.470 -7.209 15.012 1.00 0.00 N ATOM 74 CA ALA A 6 -6.654 -7.334 16.441 1.00 0.00 C ATOM 75 C ALA A 6 -8.115 -7.208 16.820 1.00 0.00 C ATOM 76 O ALA A 6 -8.459 -6.926 17.969 1.00 0.00 O ATOM 77 CB ALA A 6 -5.819 -6.292 17.166 1.00 0.00 C ATOM 0 H ALA A 6 -6.587 -6.262 14.652 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.320 -8.327 16.743 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.964 -6.394 18.242 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.766 -6.439 16.926 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.127 -5.295 16.851 1.00 0.00 H new ATOM 83 N LYS A 7 -8.987 -7.426 15.862 1.00 0.00 N ATOM 84 CA LYS A 7 -10.405 -7.353 16.114 1.00 0.00 C ATOM 85 C LYS A 7 -11.095 -8.622 15.631 1.00 0.00 C ATOM 86 O LYS A 7 -10.795 -9.128 14.541 1.00 0.00 O ATOM 87 CB LYS A 7 -11.042 -6.112 15.444 1.00 0.00 C ATOM 88 CG LYS A 7 -11.107 -6.170 13.916 1.00 0.00 C ATOM 89 CD LYS A 7 -9.785 -5.791 13.263 1.00 0.00 C ATOM 90 CE LYS A 7 -9.578 -4.285 13.261 1.00 0.00 C ATOM 91 NZ LYS A 7 -10.611 -3.585 12.457 1.00 0.00 N ATOM 0 H LYS A 7 -8.737 -7.656 14.900 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.543 -7.258 17.191 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.053 -5.986 15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.476 -5.228 15.736 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.387 -7.176 13.605 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.889 -5.498 13.563 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.964 -6.272 13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.763 -6.164 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.602 -3.914 14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.590 -4.055 12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.151 -3.032 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.251 -4.284 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.156 -2.947 13.072 1.00 0.00 H new ATOM 105 N PRO A 8 -12.014 -9.164 16.437 1.00 0.00 N ATOM 106 CA PRO A 8 -12.788 -10.350 16.066 1.00 0.00 C ATOM 107 C PRO A 8 -13.876 -9.995 15.058 1.00 0.00 C ATOM 108 O PRO A 8 -14.499 -10.861 14.444 1.00 0.00 O ATOM 109 CB PRO A 8 -13.405 -10.792 17.393 1.00 0.00 C ATOM 110 CG PRO A 8 -13.524 -9.540 18.190 1.00 0.00 C ATOM 111 CD PRO A 8 -12.363 -8.671 17.788 1.00 0.00 C ATOM 0 HA PRO A 8 -12.184 -11.124 15.593 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.378 -11.259 17.241 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.775 -11.525 17.898 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.472 -9.040 17.989 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.497 -9.755 19.258 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.638 -7.616 17.772 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.527 -8.772 18.480 1.00 0.00 H new ATOM 119 N SER A 9 -14.090 -8.704 14.895 1.00 0.00 N ATOM 120 CA SER A 9 -15.066 -8.175 13.977 1.00 0.00 C ATOM 121 C SER A 9 -14.817 -6.687 13.812 1.00 0.00 C ATOM 122 O SER A 9 -14.338 -6.024 14.739 1.00 0.00 O ATOM 123 CB SER A 9 -16.488 -8.429 14.502 1.00 0.00 C ATOM 124 OG SER A 9 -17.463 -8.038 13.552 1.00 0.00 O ATOM 0 H SER A 9 -13.579 -7.985 15.408 1.00 0.00 H new ATOM 0 HA SER A 9 -14.973 -8.672 13.011 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.608 -9.487 14.736 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.639 -7.878 15.430 1.00 0.00 H new ATOM 0 HG SER A 9 -18.358 -8.212 13.911 1.00 0.00 H new ATOM 130 N THR A 10 -15.127 -6.149 12.654 1.00 0.00 N ATOM 131 CA THR A 10 -14.932 -4.743 12.404 1.00 0.00 C ATOM 132 C THR A 10 -16.267 -4.083 12.173 1.00 0.00 C ATOM 133 O THR A 10 -16.885 -4.226 11.115 1.00 0.00 O ATOM 134 CB THR A 10 -14.037 -4.492 11.193 1.00 0.00 C ATOM 135 OG1 THR A 10 -12.817 -5.241 11.322 1.00 0.00 O ATOM 136 CG2 THR A 10 -13.710 -3.011 11.055 1.00 0.00 C ATOM 0 H THR A 10 -15.517 -6.669 11.868 1.00 0.00 H new ATOM 0 HA THR A 10 -14.439 -4.320 13.280 1.00 0.00 H new ATOM 0 HB THR A 10 -14.574 -4.815 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.248 -5.077 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.071 -2.859 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.633 -2.445 10.931 1.00 0.00 H new ATOM 0 HG23 THR A 10 -13.191 -2.668 11.950 1.00 0.00 H new ATOM 144 N GLU A 11 -16.712 -3.380 13.156 1.00 0.00 N ATOM 145 CA GLU A 11 -17.989 -2.707 13.112 1.00 0.00 C ATOM 146 C GLU A 11 -17.800 -1.239 13.424 1.00 0.00 C ATOM 147 O GLU A 11 -16.669 -0.763 13.567 1.00 0.00 O ATOM 148 CB GLU A 11 -18.957 -3.334 14.120 1.00 0.00 C ATOM 149 CG GLU A 11 -19.203 -4.817 13.902 1.00 0.00 C ATOM 150 CD GLU A 11 -20.160 -5.406 14.913 1.00 0.00 C ATOM 151 OE1 GLU A 11 -19.758 -5.604 16.080 1.00 0.00 O ATOM 152 OE2 GLU A 11 -21.319 -5.685 14.549 1.00 0.00 O ATOM 0 H GLU A 11 -16.202 -3.247 14.030 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.410 -2.813 12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.564 -3.186 15.126 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.910 -2.807 14.069 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.601 -4.971 12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.253 -5.350 13.954 1.00 0.00 H new ATOM 159 N ASP A 12 -18.891 -0.514 13.519 1.00 0.00 N ATOM 160 CA ASP A 12 -18.834 0.896 13.852 1.00 0.00 C ATOM 161 C ASP A 12 -18.462 1.080 15.306 1.00 0.00 C ATOM 162 O ASP A 12 -18.782 0.247 16.152 1.00 0.00 O ATOM 163 CB ASP A 12 -20.159 1.589 13.547 1.00 0.00 C ATOM 164 CG ASP A 12 -20.349 1.834 12.071 1.00 0.00 C ATOM 165 OD1 ASP A 12 -19.893 2.887 11.580 1.00 0.00 O ATOM 166 OD2 ASP A 12 -20.954 0.980 11.389 1.00 0.00 O ATOM 0 H ASP A 12 -19.833 -0.876 13.370 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.064 1.357 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.981 0.978 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.201 2.539 14.079 1.00 0.00 H new ATOM 171 N LEU A 13 -17.797 2.170 15.606 1.00 0.00 N ATOM 172 CA LEU A 13 -17.330 2.416 16.962 1.00 0.00 C ATOM 173 C LEU A 13 -18.092 3.558 17.624 1.00 0.00 C ATOM 174 O LEU A 13 -18.042 3.727 18.843 1.00 0.00 O ATOM 175 CB LEU A 13 -15.808 2.685 17.002 1.00 0.00 C ATOM 176 CG LEU A 13 -15.293 3.958 16.297 1.00 0.00 C ATOM 177 CD1 LEU A 13 -13.902 4.304 16.795 1.00 0.00 C ATOM 178 CD2 LEU A 13 -15.262 3.777 14.781 1.00 0.00 C ATOM 0 H LEU A 13 -17.564 2.903 14.936 1.00 0.00 H new ATOM 0 HA LEU A 13 -17.527 1.507 17.530 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.501 2.731 18.047 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.302 1.827 16.559 1.00 0.00 H new ATOM 0 HG LEU A 13 -15.979 4.771 16.533 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.548 5.204 16.291 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.934 4.479 17.870 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.223 3.478 16.582 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.895 4.690 14.313 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.601 2.948 14.527 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -16.268 3.563 14.419 1.00 0.00 H new ATOM 190 N GLY A 14 -18.796 4.359 16.828 1.00 0.00 N ATOM 191 CA GLY A 14 -19.550 5.469 17.379 1.00 0.00 C ATOM 192 C GLY A 14 -18.667 6.660 17.676 1.00 0.00 C ATOM 193 O GLY A 14 -18.906 7.766 17.196 1.00 0.00 O ATOM 0 H GLY A 14 -18.857 4.259 15.815 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -20.330 5.762 16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -20.049 5.150 18.294 1.00 0.00 H new ATOM 197 N ASP A 15 -17.621 6.429 18.446 1.00 0.00 N ATOM 198 CA ASP A 15 -16.687 7.474 18.811 1.00 0.00 C ATOM 199 C ASP A 15 -15.665 7.654 17.702 1.00 0.00 C ATOM 200 O ASP A 15 -14.489 7.355 17.856 1.00 0.00 O ATOM 201 CB ASP A 15 -15.996 7.130 20.131 1.00 0.00 C ATOM 202 CG ASP A 15 -15.325 8.324 20.775 1.00 0.00 C ATOM 203 OD1 ASP A 15 -16.048 9.219 21.263 1.00 0.00 O ATOM 204 OD2 ASP A 15 -14.083 8.359 20.833 1.00 0.00 O ATOM 0 H ASP A 15 -17.396 5.513 18.835 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.229 8.410 18.945 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.730 6.716 20.822 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.252 6.354 19.954 1.00 0.00 H new ATOM 209 N LYS A 16 -16.144 8.093 16.553 1.00 0.00 N ATOM 210 CA LYS A 16 -15.300 8.309 15.384 1.00 0.00 C ATOM 211 C LYS A 16 -15.286 9.781 14.983 1.00 0.00 C ATOM 212 O LYS A 16 -14.905 10.126 13.867 1.00 0.00 O ATOM 213 CB LYS A 16 -15.809 7.458 14.215 1.00 0.00 C ATOM 214 CG LYS A 16 -17.273 7.700 13.869 1.00 0.00 C ATOM 215 CD LYS A 16 -17.728 6.826 12.711 1.00 0.00 C ATOM 216 CE LYS A 16 -19.222 6.980 12.446 1.00 0.00 C ATOM 217 NZ LYS A 16 -19.586 8.364 12.031 1.00 0.00 N ATOM 0 H LYS A 16 -17.129 8.311 16.400 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.282 8.014 15.637 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -15.199 7.664 13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.672 6.404 14.458 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.892 7.498 14.743 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -17.418 8.749 13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -17.169 7.090 11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.502 5.783 12.931 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.524 6.279 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.777 6.716 13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.599 8.401 11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.386 9.024 12.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.028 8.634 11.196 1.00 0.00 H new ATOM 231 N LYS A 17 -15.686 10.648 15.895 1.00 0.00 N ATOM 232 CA LYS A 17 -15.764 12.076 15.599 1.00 0.00 C ATOM 233 C LYS A 17 -14.430 12.768 15.792 1.00 0.00 C ATOM 234 O LYS A 17 -14.158 13.808 15.196 1.00 0.00 O ATOM 235 CB LYS A 17 -16.833 12.755 16.450 1.00 0.00 C ATOM 236 CG LYS A 17 -16.677 12.508 17.943 1.00 0.00 C ATOM 237 CD LYS A 17 -17.462 13.517 18.760 1.00 0.00 C ATOM 238 CE LYS A 17 -16.824 14.897 18.684 1.00 0.00 C ATOM 239 NZ LYS A 17 -17.540 15.886 19.520 1.00 0.00 N ATOM 0 H LYS A 17 -15.962 10.395 16.844 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.040 12.166 14.548 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.805 13.829 16.264 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.815 12.402 16.133 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -17.017 11.501 18.183 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -15.622 12.561 18.213 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.488 13.566 18.395 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -17.509 13.191 19.799 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.785 14.834 19.007 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -16.816 15.236 17.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -17.073 16.812 19.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.525 15.966 19.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.526 15.576 20.513 1.00 0.00 H new ATOM 253 N GLU A 18 -13.600 12.193 16.605 1.00 0.00 N ATOM 254 CA GLU A 18 -12.297 12.769 16.898 1.00 0.00 C ATOM 255 C GLU A 18 -11.236 12.217 15.957 1.00 0.00 C ATOM 256 O GLU A 18 -10.416 12.956 15.414 1.00 0.00 O ATOM 257 CB GLU A 18 -11.916 12.557 18.379 1.00 0.00 C ATOM 258 CG GLU A 18 -12.556 11.336 19.053 1.00 0.00 C ATOM 259 CD GLU A 18 -12.084 10.017 18.488 1.00 0.00 C ATOM 260 OE1 GLU A 18 -12.683 9.544 17.499 1.00 0.00 O ATOM 261 OE2 GLU A 18 -11.105 9.450 19.021 1.00 0.00 O ATOM 0 H GLU A 18 -13.792 11.316 17.089 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.355 13.845 16.731 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.832 12.463 18.448 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.195 13.449 18.940 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.337 11.364 20.120 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.639 11.400 18.948 1.00 0.00 H new ATOM 268 N GLY A 19 -11.281 10.929 15.747 1.00 0.00 N ATOM 269 CA GLY A 19 -10.363 10.285 14.856 1.00 0.00 C ATOM 270 C GLY A 19 -10.894 10.253 13.452 1.00 0.00 C ATOM 271 O GLY A 19 -11.602 9.315 13.070 1.00 0.00 O ATOM 0 H GLY A 19 -11.953 10.301 16.188 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.408 10.810 14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.174 9.268 15.199 1.00 0.00 H new ATOM 275 N GLU A 20 -10.590 11.289 12.678 1.00 0.00 N ATOM 276 CA GLU A 20 -11.032 11.361 11.302 1.00 0.00 C ATOM 277 C GLU A 20 -10.452 10.201 10.524 1.00 0.00 C ATOM 278 O GLU A 20 -9.230 10.019 10.452 1.00 0.00 O ATOM 279 CB GLU A 20 -10.643 12.698 10.677 1.00 0.00 C ATOM 280 CG GLU A 20 -11.203 12.914 9.283 1.00 0.00 C ATOM 281 CD GLU A 20 -11.096 14.352 8.837 1.00 0.00 C ATOM 282 OE1 GLU A 20 -11.962 15.163 9.234 1.00 0.00 O ATOM 283 OE2 GLU A 20 -10.160 14.684 8.090 1.00 0.00 O ATOM 0 H GLU A 20 -10.038 12.089 12.987 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.119 11.293 11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.988 13.504 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.556 12.765 10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.670 12.277 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.249 12.607 9.263 1.00 0.00 H new ATOM 290 N TYR A 21 -11.318 9.411 9.958 1.00 0.00 N ATOM 291 CA TYR A 21 -10.927 8.209 9.288 1.00 0.00 C ATOM 292 C TYR A 21 -10.982 8.387 7.788 1.00 0.00 C ATOM 293 O TYR A 21 -11.569 9.344 7.269 1.00 0.00 O ATOM 294 CB TYR A 21 -11.874 7.073 9.686 1.00 0.00 C ATOM 295 CG TYR A 21 -13.255 7.237 9.089 1.00 0.00 C ATOM 296 CD1 TYR A 21 -14.147 8.181 9.593 1.00 0.00 C ATOM 297 CD2 TYR A 21 -13.654 6.473 8.000 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.395 8.349 9.029 1.00 0.00 C ATOM 299 CE2 TYR A 21 -14.894 6.643 7.429 1.00 0.00 C ATOM 300 CZ TYR A 21 -15.762 7.578 7.945 1.00 0.00 C ATOM 301 OH TYR A 21 -16.998 7.751 7.369 1.00 0.00 O ATOM 0 H TYR A 21 -12.323 9.586 9.950 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.904 7.971 9.579 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.452 6.122 9.362 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.953 7.033 10.772 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -13.858 8.790 10.437 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.980 5.733 7.595 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.080 9.079 9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.185 6.045 6.578 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.098 7.131 6.617 1.00 0.00 H new ATOM 311 N ILE A 22 -10.385 7.463 7.103 1.00 0.00 N ATOM 312 CA ILE A 22 -10.399 7.415 5.672 1.00 0.00 C ATOM 313 C ILE A 22 -10.313 5.960 5.238 1.00 0.00 C ATOM 314 O ILE A 22 -9.609 5.172 5.840 1.00 0.00 O ATOM 315 CB ILE A 22 -9.243 8.269 5.052 1.00 0.00 C ATOM 316 CG1 ILE A 22 -8.830 7.748 3.668 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.042 8.334 5.986 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.864 8.657 2.939 1.00 0.00 C ATOM 0 H ILE A 22 -9.861 6.701 7.533 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.328 7.851 5.305 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.626 9.281 4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.374 6.764 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.723 7.617 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.256 8.934 5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.340 8.788 6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.669 7.326 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.618 8.224 1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.324 9.635 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.954 8.768 3.528 1.00 0.00 H new ATOM 330 N LYS A 23 -11.073 5.585 4.250 1.00 0.00 N ATOM 331 CA LYS A 23 -11.050 4.220 3.779 1.00 0.00 C ATOM 332 C LYS A 23 -10.344 4.150 2.444 1.00 0.00 C ATOM 333 O LYS A 23 -10.445 5.064 1.649 1.00 0.00 O ATOM 334 CB LYS A 23 -12.479 3.653 3.690 1.00 0.00 C ATOM 335 CG LYS A 23 -13.440 4.495 2.856 1.00 0.00 C ATOM 336 CD LYS A 23 -14.875 3.972 2.947 1.00 0.00 C ATOM 337 CE LYS A 23 -14.978 2.530 2.471 1.00 0.00 C ATOM 338 NZ LYS A 23 -16.379 2.037 2.467 1.00 0.00 N ATOM 0 H LYS A 23 -11.717 6.200 3.752 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.498 3.606 4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.433 2.650 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.882 3.555 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.407 5.530 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.117 4.492 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.223 4.041 3.978 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.531 4.602 2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.564 2.451 1.466 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.373 1.893 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.399 1.051 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.767 2.087 3.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.953 2.627 1.832 1.00 0.00 H new ATOM 352 N LEU A 24 -9.598 3.098 2.213 1.00 0.00 N ATOM 353 CA LEU A 24 -8.887 2.938 0.950 1.00 0.00 C ATOM 354 C LEU A 24 -9.065 1.542 0.406 1.00 0.00 C ATOM 355 O LEU A 24 -9.295 0.595 1.158 1.00 0.00 O ATOM 356 CB LEU A 24 -7.396 3.232 1.125 1.00 0.00 C ATOM 357 CG LEU A 24 -7.029 4.682 1.438 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.541 4.801 1.673 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.461 5.601 0.304 1.00 0.00 C ATOM 0 H LEU A 24 -9.462 2.336 2.877 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.309 3.651 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.014 2.601 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.879 2.936 0.212 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.554 4.986 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.290 5.838 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.254 4.170 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.005 4.481 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.191 6.629 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.961 5.302 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.541 5.531 0.170 1.00 0.00 H new ATOM 371 N LYS A 25 -8.965 1.402 -0.899 1.00 0.00 N ATOM 372 CA LYS A 25 -9.080 0.113 -1.520 1.00 0.00 C ATOM 373 C LYS A 25 -7.874 -0.183 -2.368 1.00 0.00 C ATOM 374 O LYS A 25 -7.461 0.616 -3.209 1.00 0.00 O ATOM 375 CB LYS A 25 -10.381 -0.002 -2.327 1.00 0.00 C ATOM 376 CG LYS A 25 -10.462 -1.213 -3.275 1.00 0.00 C ATOM 377 CD LYS A 25 -9.990 -0.862 -4.676 1.00 0.00 C ATOM 378 CE LYS A 25 -10.442 -1.881 -5.707 1.00 0.00 C ATOM 379 NZ LYS A 25 -11.921 -1.992 -5.801 1.00 0.00 N ATOM 0 H LYS A 25 -8.804 2.173 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.122 -0.639 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.218 -0.050 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.507 0.908 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.854 -2.026 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.489 -1.574 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.371 0.122 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.902 -0.797 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.041 -1.606 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.025 -2.856 -5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.184 -2.342 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.266 -2.655 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.350 -1.057 -5.647 1.00 0.00 H new ATOM 393 N VAL A 26 -7.294 -1.317 -2.131 1.00 0.00 N ATOM 394 CA VAL A 26 -6.170 -1.762 -2.896 1.00 0.00 C ATOM 395 C VAL A 26 -6.657 -2.707 -3.978 1.00 0.00 C ATOM 396 O VAL A 26 -7.460 -3.604 -3.711 1.00 0.00 O ATOM 397 CB VAL A 26 -5.124 -2.470 -1.997 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.005 -3.061 -2.831 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.563 -1.499 -0.973 1.00 0.00 C ATOM 0 H VAL A 26 -7.587 -1.964 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.684 -0.897 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.623 -3.284 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.284 -3.552 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.417 -3.790 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.508 -2.267 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.830 -2.011 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.084 -0.666 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.372 -1.123 -0.347 1.00 0.00 H new ATOM 409 N ILE A 27 -6.215 -2.491 -5.198 1.00 0.00 N ATOM 410 CA ILE A 27 -6.617 -3.322 -6.304 1.00 0.00 C ATOM 411 C ILE A 27 -5.393 -3.875 -7.017 1.00 0.00 C ATOM 412 O ILE A 27 -4.320 -3.294 -6.960 1.00 0.00 O ATOM 413 CB ILE A 27 -7.514 -2.546 -7.314 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.220 -3.520 -8.268 1.00 0.00 C ATOM 415 CG2 ILE A 27 -6.700 -1.517 -8.100 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.154 -2.851 -9.258 1.00 0.00 C ATOM 0 H ILE A 27 -5.572 -1.739 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.205 -4.146 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.272 -2.008 -6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.466 -4.082 -8.819 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.788 -4.241 -7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.353 -0.992 -8.797 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.255 -0.801 -7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.911 -2.024 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.612 -3.608 -9.895 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.932 -2.312 -8.717 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.590 -2.151 -9.875 1.00 0.00 H new ATOM 428 N GLY A 28 -5.548 -5.012 -7.650 1.00 0.00 N ATOM 429 CA GLY A 28 -4.468 -5.602 -8.390 1.00 0.00 C ATOM 430 C GLY A 28 -4.944 -6.136 -9.708 1.00 0.00 C ATOM 431 O GLY A 28 -6.146 -6.345 -9.898 1.00 0.00 O ATOM 0 H GLY A 28 -6.417 -5.546 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.688 -4.859 -8.556 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.022 -6.408 -7.807 1.00 0.00 H new ATOM 435 N GLN A 29 -4.018 -6.383 -10.631 1.00 0.00 N ATOM 436 CA GLN A 29 -4.375 -6.905 -11.954 1.00 0.00 C ATOM 437 C GLN A 29 -5.036 -8.283 -11.841 1.00 0.00 C ATOM 438 O GLN A 29 -5.654 -8.771 -12.780 1.00 0.00 O ATOM 439 CB GLN A 29 -3.143 -6.999 -12.874 1.00 0.00 C ATOM 440 CG GLN A 29 -2.251 -8.214 -12.619 1.00 0.00 C ATOM 441 CD GLN A 29 -1.299 -8.030 -11.464 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.186 -7.576 -11.643 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.721 -8.403 -10.276 1.00 0.00 N ATOM 0 H GLN A 29 -3.019 -6.232 -10.492 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.085 -6.204 -12.393 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.480 -7.023 -13.910 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.546 -6.095 -12.754 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.880 -9.083 -12.426 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.678 -8.430 -13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.662 -8.780 -10.164 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.107 -8.316 -9.466 1.00 0.00 H new ATOM 452 N ASP A 30 -4.895 -8.914 -10.680 1.00 0.00 N ATOM 453 CA ASP A 30 -5.468 -10.232 -10.436 1.00 0.00 C ATOM 454 C ASP A 30 -6.914 -10.103 -9.948 1.00 0.00 C ATOM 455 O ASP A 30 -7.495 -11.048 -9.410 1.00 0.00 O ATOM 456 CB ASP A 30 -4.613 -10.976 -9.396 1.00 0.00 C ATOM 457 CG ASP A 30 -4.857 -12.473 -9.382 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.342 -13.166 -10.285 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.546 -12.968 -8.464 1.00 0.00 O ATOM 0 H ASP A 30 -4.383 -8.529 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.473 -10.800 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.559 -10.788 -9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.823 -10.571 -8.406 1.00 0.00 H new ATOM 464 N SER A 31 -7.498 -8.909 -10.144 1.00 0.00 N ATOM 465 CA SER A 31 -8.873 -8.614 -9.730 1.00 0.00 C ATOM 466 C SER A 31 -8.985 -8.624 -8.205 1.00 0.00 C ATOM 467 O SER A 31 -10.071 -8.748 -7.637 1.00 0.00 O ATOM 468 CB SER A 31 -9.854 -9.609 -10.365 1.00 0.00 C ATOM 469 OG SER A 31 -9.684 -9.651 -11.781 1.00 0.00 O ATOM 0 H SER A 31 -7.027 -8.124 -10.594 1.00 0.00 H new ATOM 0 HA SER A 31 -9.136 -7.616 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.695 -10.602 -9.945 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.878 -9.322 -10.125 1.00 0.00 H new ATOM 0 HG SER A 31 -10.317 -10.292 -12.168 1.00 0.00 H new ATOM 475 N SER A 32 -7.849 -8.477 -7.552 1.00 0.00 N ATOM 476 CA SER A 32 -7.780 -8.460 -6.110 1.00 0.00 C ATOM 477 C SER A 32 -8.168 -7.084 -5.579 1.00 0.00 C ATOM 478 O SER A 32 -7.562 -6.085 -5.934 1.00 0.00 O ATOM 479 CB SER A 32 -6.357 -8.803 -5.672 1.00 0.00 C ATOM 480 OG SER A 32 -5.880 -9.950 -6.358 1.00 0.00 O ATOM 0 H SER A 32 -6.945 -8.366 -8.012 1.00 0.00 H new ATOM 0 HA SER A 32 -8.476 -9.196 -5.708 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.698 -7.957 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.336 -8.982 -4.597 1.00 0.00 H new ATOM 0 HG SER A 32 -4.967 -10.151 -6.064 1.00 0.00 H new ATOM 486 N GLU A 33 -9.193 -7.030 -4.752 1.00 0.00 N ATOM 487 CA GLU A 33 -9.598 -5.775 -4.160 1.00 0.00 C ATOM 488 C GLU A 33 -9.842 -5.917 -2.674 1.00 0.00 C ATOM 489 O GLU A 33 -10.486 -6.860 -2.217 1.00 0.00 O ATOM 490 CB GLU A 33 -10.822 -5.175 -4.850 1.00 0.00 C ATOM 491 CG GLU A 33 -12.128 -5.892 -4.604 1.00 0.00 C ATOM 492 CD GLU A 33 -13.305 -5.047 -5.023 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.462 -3.921 -4.479 1.00 0.00 O ATOM 494 OE2 GLU A 33 -14.065 -5.478 -5.910 1.00 0.00 O ATOM 0 H GLU A 33 -9.756 -7.835 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.769 -5.083 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.929 -4.140 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.637 -5.153 -5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.138 -6.832 -5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.215 -6.141 -3.546 1.00 0.00 H new ATOM 501 N ILE A 34 -9.311 -4.986 -1.919 1.00 0.00 N ATOM 502 CA ILE A 34 -9.467 -4.980 -0.477 1.00 0.00 C ATOM 503 C ILE A 34 -9.703 -3.567 0.023 1.00 0.00 C ATOM 504 O ILE A 34 -8.934 -2.655 -0.275 1.00 0.00 O ATOM 505 CB ILE A 34 -8.226 -5.582 0.236 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.934 -5.036 -0.392 1.00 0.00 C ATOM 507 CG2 ILE A 34 -8.261 -7.106 0.185 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.661 -5.561 0.237 1.00 0.00 C ATOM 0 H ILE A 34 -8.758 -4.210 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.331 -5.601 -0.241 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.248 -5.284 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.928 -5.283 -1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.940 -3.949 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.382 -7.507 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.162 -7.466 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.264 -7.435 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.799 -5.124 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.639 -5.291 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.627 -6.646 0.139 1.00 0.00 H new ATOM 520 N HIS A 35 -10.783 -3.371 0.753 1.00 0.00 N ATOM 521 CA HIS A 35 -11.109 -2.061 1.303 1.00 0.00 C ATOM 522 C HIS A 35 -10.786 -2.047 2.781 1.00 0.00 C ATOM 523 O HIS A 35 -11.310 -2.853 3.549 1.00 0.00 O ATOM 524 CB HIS A 35 -12.597 -1.712 1.102 1.00 0.00 C ATOM 525 CG HIS A 35 -13.046 -1.612 -0.331 1.00 0.00 C ATOM 526 ND1 HIS A 35 -13.766 -0.541 -0.827 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.927 -2.485 -1.361 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.078 -0.769 -2.087 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.581 -1.944 -2.437 1.00 0.00 N ATOM 0 H HIS A 35 -11.455 -4.103 0.982 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.515 -1.315 0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.201 -2.468 1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.800 -0.762 1.596 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -14.017 0.295 -0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.411 -3.434 -1.338 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.644 -0.108 -2.726 1.00 0.00 H new ATOM 538 N PHE A 36 -9.926 -1.148 3.187 1.00 0.00 N ATOM 539 CA PHE A 36 -9.529 -1.068 4.581 1.00 0.00 C ATOM 540 C PHE A 36 -9.793 0.298 5.171 1.00 0.00 C ATOM 541 O PHE A 36 -9.863 1.308 4.460 1.00 0.00 O ATOM 542 CB PHE A 36 -8.057 -1.442 4.762 1.00 0.00 C ATOM 543 CG PHE A 36 -7.802 -2.922 4.742 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.998 -3.685 5.883 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.362 -3.550 3.593 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.763 -5.044 5.876 1.00 0.00 C ATOM 547 CE2 PHE A 36 -7.123 -4.909 3.579 1.00 0.00 C ATOM 548 CZ PHE A 36 -7.323 -5.657 4.720 1.00 0.00 C ATOM 0 H PHE A 36 -9.484 -0.459 2.578 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.143 -1.789 5.120 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.472 -0.971 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.702 -1.034 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.339 -3.208 6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.203 -2.971 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.923 -5.626 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.779 -5.387 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.136 -6.721 4.709 1.00 0.00 H new ATOM 558 N LYS A 37 -9.940 0.326 6.479 1.00 0.00 N ATOM 559 CA LYS A 37 -10.182 1.551 7.200 1.00 0.00 C ATOM 560 C LYS A 37 -8.891 2.054 7.785 1.00 0.00 C ATOM 561 O LYS A 37 -8.279 1.402 8.635 1.00 0.00 O ATOM 562 CB LYS A 37 -11.212 1.329 8.295 1.00 0.00 C ATOM 563 CG LYS A 37 -11.626 2.602 9.022 1.00 0.00 C ATOM 564 CD LYS A 37 -13.022 2.472 9.599 1.00 0.00 C ATOM 565 CE LYS A 37 -14.049 2.349 8.485 1.00 0.00 C ATOM 566 NZ LYS A 37 -15.416 2.098 9.007 1.00 0.00 N ATOM 0 H LYS A 37 -9.894 -0.504 7.071 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.576 2.298 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.098 0.867 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.809 0.623 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.917 2.814 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.591 3.446 8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.074 1.598 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.249 3.341 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.051 3.264 7.892 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.762 1.537 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.082 2.021 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.423 1.212 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.702 2.885 9.624 1.00 0.00 H new ATOM 580 N VAL A 38 -8.466 3.203 7.341 1.00 0.00 N ATOM 581 CA VAL A 38 -7.207 3.749 7.761 1.00 0.00 C ATOM 582 C VAL A 38 -7.384 5.130 8.369 1.00 0.00 C ATOM 583 O VAL A 38 -8.487 5.694 8.375 1.00 0.00 O ATOM 584 CB VAL A 38 -6.212 3.799 6.570 1.00 0.00 C ATOM 585 CG1 VAL A 38 -6.070 2.419 5.963 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.646 4.806 5.511 1.00 0.00 C ATOM 0 H VAL A 38 -8.980 3.786 6.680 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.795 3.095 8.530 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.245 4.128 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.371 2.459 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.695 1.727 6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.042 2.076 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.923 4.810 4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.627 4.528 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.699 5.800 5.954 1.00 0.00 H new HETATM 596 OH ALY A 39 -5.135 10.130 11.768 1.00 0.00 O HETATM 597 CH ALY A 39 -4.081 10.090 12.404 1.00 0.00 C HETATM 598 CH3 ALY A 39 -3.487 11.318 13.025 1.00 0.00 C HETATM 599 NZ ALY A 39 -3.413 8.967 12.577 1.00 0.00 N HETATM 600 CE ALY A 39 -3.979 7.780 13.207 1.00 0.00 C HETATM 601 CD ALY A 39 -3.723 6.523 12.390 1.00 0.00 C HETATM 602 CG ALY A 39 -4.228 6.671 10.956 1.00 0.00 C HETATM 603 CB ALY A 39 -5.724 6.974 10.907 1.00 0.00 C HETATM 604 CA ALY A 39 -6.340 6.983 9.487 1.00 0.00 C HETATM 605 N ALY A 39 -6.317 5.664 8.913 1.00 0.00 N HETATM 606 C ALY A 39 -5.600 7.937 8.558 1.00 0.00 C HETATM 607 O ALY A 39 -5.384 7.627 7.389 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.277 12.053 12.248 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -4.191 11.739 13.743 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -2.561 11.056 13.536 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.447 8.926 12.252 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.025 5.754 10.403 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -3.679 7.471 10.459 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -5.053 7.916 13.336 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -3.551 7.659 14.202 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.216 5.674 12.864 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -2.655 6.307 12.379 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.370 7.322 9.592 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -5.899 7.945 11.369 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.250 6.234 11.511 1.00 0.00 H new HETATM 0 H ALY A 39 -5.928 4.884 9.443 1.00 0.00 H new ATOM 622 N MET A 40 -5.169 9.061 9.066 1.00 0.00 N ATOM 623 CA MET A 40 -4.524 10.058 8.234 1.00 0.00 C ATOM 624 C MET A 40 -3.086 9.646 7.927 1.00 0.00 C ATOM 625 O MET A 40 -2.608 9.792 6.808 1.00 0.00 O ATOM 626 CB MET A 40 -4.551 11.425 8.934 1.00 0.00 C ATOM 627 CG MET A 40 -3.967 12.578 8.124 1.00 0.00 C ATOM 628 SD MET A 40 -5.146 13.358 6.975 1.00 0.00 S ATOM 629 CE MET A 40 -5.565 12.016 5.855 1.00 0.00 C ATOM 0 H MET A 40 -5.250 9.315 10.051 1.00 0.00 H new ATOM 0 HA MET A 40 -5.068 10.135 7.293 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.583 11.666 9.187 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.002 11.346 9.873 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.592 13.336 8.811 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.112 12.211 7.556 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.770 12.420 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.731 11.317 5.797 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.449 11.496 6.224 1.00 0.00 H new ATOM 639 N THR A 41 -2.417 9.092 8.914 1.00 0.00 N ATOM 640 CA THR A 41 -1.015 8.738 8.798 1.00 0.00 C ATOM 641 C THR A 41 -0.771 7.219 8.791 1.00 0.00 C ATOM 642 O THR A 41 0.292 6.750 9.209 1.00 0.00 O ATOM 643 CB THR A 41 -0.229 9.374 9.948 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.941 9.174 11.181 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.054 10.857 9.704 1.00 0.00 C ATOM 0 H THR A 41 -2.828 8.873 9.822 1.00 0.00 H new ATOM 0 HA THR A 41 -0.672 9.120 7.836 1.00 0.00 H new ATOM 0 HB THR A 41 0.753 8.906 10.008 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.438 9.579 11.918 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.506 11.298 10.529 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.490 11.011 8.772 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.032 11.332 9.635 1.00 0.00 H new ATOM 653 N THR A 42 -1.735 6.444 8.313 1.00 0.00 N ATOM 654 CA THR A 42 -1.564 4.997 8.230 1.00 0.00 C ATOM 655 C THR A 42 -0.513 4.631 7.181 1.00 0.00 C ATOM 656 O THR A 42 -0.603 5.049 6.024 1.00 0.00 O ATOM 657 CB THR A 42 -2.887 4.284 7.878 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.860 4.541 8.891 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.679 2.780 7.757 1.00 0.00 C ATOM 0 H THR A 42 -2.636 6.787 7.979 1.00 0.00 H new ATOM 0 HA THR A 42 -1.234 4.664 9.214 1.00 0.00 H new ATOM 0 HB THR A 42 -3.236 4.670 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.681 3.972 9.669 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.626 2.301 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.951 2.575 6.972 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.311 2.386 8.704 1.00 0.00 H new ATOM 667 N HIS A 43 0.497 3.867 7.585 1.00 0.00 N ATOM 668 CA HIS A 43 1.512 3.404 6.652 1.00 0.00 C ATOM 669 C HIS A 43 0.904 2.361 5.746 1.00 0.00 C ATOM 670 O HIS A 43 0.602 1.245 6.171 1.00 0.00 O ATOM 671 CB HIS A 43 2.726 2.826 7.386 1.00 0.00 C ATOM 672 CG HIS A 43 3.575 3.855 8.071 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.906 3.659 8.355 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.276 5.092 8.531 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.388 4.726 8.959 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.420 5.610 9.077 1.00 0.00 N ATOM 0 H HIS A 43 0.632 3.558 8.548 1.00 0.00 H new ATOM 0 HA HIS A 43 1.861 4.252 6.063 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.380 2.105 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.342 2.279 6.672 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.438 2.818 8.132 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.314 5.580 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.405 4.854 9.300 1.00 0.00 H new ATOM 685 N LEU A 44 0.722 2.711 4.497 1.00 0.00 N ATOM 686 CA LEU A 44 0.039 1.842 3.563 1.00 0.00 C ATOM 687 C LEU A 44 0.859 0.639 3.166 1.00 0.00 C ATOM 688 O LEU A 44 0.309 -0.355 2.701 1.00 0.00 O ATOM 689 CB LEU A 44 -0.408 2.611 2.341 1.00 0.00 C ATOM 690 CG LEU A 44 -1.472 3.664 2.601 1.00 0.00 C ATOM 691 CD1 LEU A 44 -1.777 4.420 1.335 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.736 3.025 3.163 1.00 0.00 C ATOM 0 H LEU A 44 1.038 3.596 4.099 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.840 1.461 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.461 3.096 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.790 1.904 1.604 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.090 4.367 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.541 5.171 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.872 4.910 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.140 3.727 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.485 3.796 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.126 2.300 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.503 2.521 4.101 1.00 0.00 H new ATOM 704 N LYS A 45 2.171 0.704 3.332 1.00 0.00 N ATOM 705 CA LYS A 45 3.003 -0.448 3.020 1.00 0.00 C ATOM 706 C LYS A 45 2.597 -1.586 3.913 1.00 0.00 C ATOM 707 O LYS A 45 2.535 -2.729 3.494 1.00 0.00 O ATOM 708 CB LYS A 45 4.488 -0.136 3.228 1.00 0.00 C ATOM 709 CG LYS A 45 5.459 -1.165 2.610 1.00 0.00 C ATOM 710 CD LYS A 45 5.534 -2.483 3.382 1.00 0.00 C ATOM 711 CE LYS A 45 6.260 -2.341 4.706 1.00 0.00 C ATOM 712 NZ LYS A 45 7.732 -2.248 4.526 1.00 0.00 N ATOM 0 H LYS A 45 2.674 1.523 3.673 1.00 0.00 H new ATOM 0 HA LYS A 45 2.862 -0.712 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.702 0.845 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.684 -0.069 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.151 -1.372 1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.456 -0.726 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.524 -2.852 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.042 -3.230 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.901 -1.451 5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.026 -3.195 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.136 -1.646 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.150 -3.199 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.942 -1.834 3.596 1.00 0.00 H new ATOM 726 N LYS A 46 2.279 -1.255 5.144 1.00 0.00 N ATOM 727 CA LYS A 46 1.899 -2.236 6.121 1.00 0.00 C ATOM 728 C LYS A 46 0.590 -2.943 5.718 1.00 0.00 C ATOM 729 O LYS A 46 0.408 -4.146 5.958 1.00 0.00 O ATOM 730 CB LYS A 46 1.771 -1.579 7.497 1.00 0.00 C ATOM 731 CG LYS A 46 1.202 -2.485 8.563 1.00 0.00 C ATOM 732 CD LYS A 46 1.993 -3.769 8.673 1.00 0.00 C ATOM 733 CE LYS A 46 1.403 -4.673 9.718 1.00 0.00 C ATOM 734 NZ LYS A 46 1.349 -4.013 11.034 1.00 0.00 N ATOM 0 H LYS A 46 2.278 -0.296 5.491 1.00 0.00 H new ATOM 0 HA LYS A 46 2.677 -2.998 6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.755 -1.234 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.137 -0.697 7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.208 -1.969 9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.162 -2.715 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.003 -4.278 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.029 -3.542 8.925 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.398 -4.971 9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.997 -5.584 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.410 -4.157 11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.075 -4.421 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.524 -2.994 10.919 1.00 0.00 H new ATOM 748 N LEU A 47 -0.310 -2.198 5.093 1.00 0.00 N ATOM 749 CA LEU A 47 -1.564 -2.758 4.618 1.00 0.00 C ATOM 750 C LEU A 47 -1.246 -3.766 3.527 1.00 0.00 C ATOM 751 O LEU A 47 -1.708 -4.909 3.548 1.00 0.00 O ATOM 752 CB LEU A 47 -2.474 -1.625 4.069 1.00 0.00 C ATOM 753 CG LEU A 47 -3.925 -2.000 3.666 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.733 -0.744 3.388 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.958 -2.900 2.436 1.00 0.00 C ATOM 0 H LEU A 47 -0.194 -1.203 4.903 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.096 -3.251 5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.527 -0.841 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.984 -1.194 3.196 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.362 -2.547 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.749 -1.020 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.761 -0.123 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.270 -0.186 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.992 -3.139 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.493 -2.385 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.413 -3.821 2.644 1.00 0.00 H new ATOM 767 N LYS A 48 -0.435 -3.331 2.576 1.00 0.00 N ATOM 768 CA LYS A 48 -0.027 -4.169 1.467 1.00 0.00 C ATOM 769 C LYS A 48 0.724 -5.394 1.973 1.00 0.00 C ATOM 770 O LYS A 48 0.522 -6.488 1.483 1.00 0.00 O ATOM 771 CB LYS A 48 0.833 -3.383 0.474 1.00 0.00 C ATOM 772 CG LYS A 48 0.044 -2.478 -0.479 1.00 0.00 C ATOM 773 CD LYS A 48 -0.799 -1.460 0.261 1.00 0.00 C ATOM 774 CE LYS A 48 -1.321 -0.383 -0.664 1.00 0.00 C ATOM 775 NZ LYS A 48 -0.222 0.413 -1.257 1.00 0.00 N ATOM 0 H LYS A 48 -0.044 -2.389 2.554 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.924 -4.503 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.541 -2.771 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.418 -4.088 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.737 -1.960 -1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.601 -3.091 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.638 -1.963 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.205 -1.003 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.909 -0.841 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.991 0.277 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.516 1.408 -1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.621 0.346 -0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.001 0.045 -2.204 1.00 0.00 H new ATOM 789 N GLU A 49 1.619 -5.190 2.939 1.00 0.00 N ATOM 790 CA GLU A 49 2.338 -6.279 3.592 1.00 0.00 C ATOM 791 C GLU A 49 1.368 -7.344 4.084 1.00 0.00 C ATOM 792 O GLU A 49 1.542 -8.525 3.817 1.00 0.00 O ATOM 793 CB GLU A 49 3.137 -5.722 4.769 1.00 0.00 C ATOM 794 CG GLU A 49 4.625 -5.976 4.682 1.00 0.00 C ATOM 795 CD GLU A 49 4.985 -7.429 4.902 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.101 -7.845 6.074 1.00 0.00 O ATOM 797 OE2 GLU A 49 5.169 -8.160 3.910 1.00 0.00 O ATOM 0 H GLU A 49 1.865 -4.264 3.290 1.00 0.00 H new ATOM 0 HA GLU A 49 3.015 -6.738 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.966 -4.647 4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.758 -6.161 5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.986 -5.661 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.138 -5.363 5.423 1.00 0.00 H new ATOM 804 N SER A 50 0.325 -6.916 4.788 1.00 0.00 N ATOM 805 CA SER A 50 -0.689 -7.834 5.291 1.00 0.00 C ATOM 806 C SER A 50 -1.351 -8.581 4.127 1.00 0.00 C ATOM 807 O SER A 50 -1.635 -9.781 4.210 1.00 0.00 O ATOM 808 CB SER A 50 -1.731 -7.067 6.107 1.00 0.00 C ATOM 809 OG SER A 50 -1.111 -6.338 7.165 1.00 0.00 O ATOM 0 H SER A 50 0.160 -5.937 5.023 1.00 0.00 H new ATOM 0 HA SER A 50 -0.214 -8.568 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.275 -6.381 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.461 -7.763 6.519 1.00 0.00 H new ATOM 0 HG SER A 50 -0.605 -5.586 6.792 1.00 0.00 H new ATOM 815 N TYR A 51 -1.578 -7.867 3.027 1.00 0.00 N ATOM 816 CA TYR A 51 -2.138 -8.454 1.824 1.00 0.00 C ATOM 817 C TYR A 51 -1.162 -9.459 1.214 1.00 0.00 C ATOM 818 O TYR A 51 -1.557 -10.542 0.796 1.00 0.00 O ATOM 819 CB TYR A 51 -2.511 -7.342 0.812 1.00 0.00 C ATOM 820 CG TYR A 51 -2.257 -7.692 -0.645 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.163 -8.450 -1.377 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.098 -7.265 -1.280 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.916 -8.771 -2.702 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.845 -7.582 -2.598 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.752 -8.333 -3.303 1.00 0.00 C ATOM 826 OH TYR A 51 -1.489 -8.656 -4.613 1.00 0.00 O ATOM 0 H TYR A 51 -1.378 -6.870 2.950 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.049 -8.994 2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.567 -7.099 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.947 -6.443 1.058 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.072 -8.794 -0.906 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.381 -6.673 -0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.629 -9.359 -3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.063 -7.241 -3.073 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.630 -8.268 -4.879 1.00 0.00 H new ATOM 836 N CYS A 52 0.117 -9.118 1.185 1.00 0.00 N ATOM 837 CA CYS A 52 1.123 -9.988 0.607 1.00 0.00 C ATOM 838 C CYS A 52 1.335 -11.218 1.470 1.00 0.00 C ATOM 839 O CYS A 52 1.518 -12.308 0.964 1.00 0.00 O ATOM 840 CB CYS A 52 2.441 -9.237 0.428 1.00 0.00 C ATOM 841 SG CYS A 52 2.295 -7.725 -0.546 1.00 0.00 S ATOM 0 H CYS A 52 0.481 -8.241 1.557 1.00 0.00 H new ATOM 0 HA CYS A 52 0.768 -10.311 -0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.842 -8.987 1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.162 -9.898 -0.052 1.00 0.00 H new ATOM 0 HG CYS A 52 1.598 -6.849 0.115 1.00 0.00 H new ATOM 847 N GLN A 53 1.297 -11.042 2.782 1.00 0.00 N ATOM 848 CA GLN A 53 1.473 -12.153 3.709 1.00 0.00 C ATOM 849 C GLN A 53 0.306 -13.124 3.616 1.00 0.00 C ATOM 850 O GLN A 53 0.491 -14.341 3.560 1.00 0.00 O ATOM 851 CB GLN A 53 1.621 -11.648 5.149 1.00 0.00 C ATOM 852 CG GLN A 53 2.854 -10.786 5.383 1.00 0.00 C ATOM 853 CD GLN A 53 4.147 -11.534 5.142 1.00 0.00 C ATOM 854 OE1 GLN A 53 4.225 -12.746 5.345 1.00 0.00 O ATOM 855 NE2 GLN A 53 5.170 -10.825 4.716 1.00 0.00 N ATOM 0 H GLN A 53 1.146 -10.139 3.231 1.00 0.00 H new ATOM 0 HA GLN A 53 2.387 -12.676 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 53 0.734 -11.073 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.658 -12.505 5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.814 -9.917 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.841 -10.412 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.066 -9.822 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.067 -11.278 4.542 1.00 0.00 H new ATOM 864 N ARG A 54 -0.905 -12.586 3.584 1.00 0.00 N ATOM 865 CA ARG A 54 -2.108 -13.403 3.499 1.00 0.00 C ATOM 866 C ARG A 54 -2.221 -14.086 2.137 1.00 0.00 C ATOM 867 O ARG A 54 -2.684 -15.217 2.028 1.00 0.00 O ATOM 868 CB ARG A 54 -3.342 -12.553 3.788 1.00 0.00 C ATOM 869 CG ARG A 54 -4.643 -13.325 3.763 1.00 0.00 C ATOM 870 CD ARG A 54 -5.724 -12.593 4.542 1.00 0.00 C ATOM 871 NE ARG A 54 -5.347 -12.421 5.958 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.173 -12.014 6.934 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.449 -11.756 6.680 1.00 0.00 N ATOM 874 NH2 ARG A 54 -5.716 -11.877 8.173 1.00 0.00 N ATOM 0 H ARG A 54 -1.081 -11.582 3.616 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.042 -14.188 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.228 -12.086 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.395 -11.748 3.055 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.966 -13.468 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.490 -14.316 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.902 -11.617 4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.660 -13.149 4.478 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.382 -12.628 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.813 -11.866 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.066 -11.447 7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.739 -12.081 8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.342 -11.568 8.916 1.00 0.00 H new ATOM 888 N GLN A 55 -1.777 -13.405 1.098 1.00 0.00 N ATOM 889 CA GLN A 55 -1.810 -13.962 -0.257 1.00 0.00 C ATOM 890 C GLN A 55 -0.556 -14.803 -0.510 1.00 0.00 C ATOM 891 O GLN A 55 -0.447 -15.520 -1.502 1.00 0.00 O ATOM 892 CB GLN A 55 -1.929 -12.835 -1.292 1.00 0.00 C ATOM 893 CG GLN A 55 -3.364 -12.374 -1.576 1.00 0.00 C ATOM 894 CD GLN A 55 -4.250 -12.309 -0.342 1.00 0.00 C ATOM 895 OE1 GLN A 55 -4.906 -13.282 0.014 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.273 -11.167 0.312 1.00 0.00 N ATOM 0 H GLN A 55 -1.387 -12.464 1.158 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.683 -14.608 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.349 -11.980 -0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.478 -13.169 -2.226 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.333 -11.388 -2.040 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.816 -13.053 -2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.713 -10.380 -0.016 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.851 -11.069 1.147 1.00 0.00 H new ATOM 905 N GLY A 56 0.382 -14.684 0.405 1.00 0.00 N ATOM 906 CA GLY A 56 1.621 -15.437 0.352 1.00 0.00 C ATOM 907 C GLY A 56 2.495 -15.064 -0.831 1.00 0.00 C ATOM 908 O GLY A 56 3.151 -15.924 -1.425 1.00 0.00 O ATOM 0 H GLY A 56 0.309 -14.061 1.209 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.179 -15.273 1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.390 -16.501 0.304 1.00 0.00 H new ATOM 912 N VAL A 57 2.523 -13.790 -1.183 1.00 0.00 N ATOM 913 CA VAL A 57 3.346 -13.331 -2.293 1.00 0.00 C ATOM 914 C VAL A 57 4.530 -12.508 -1.819 1.00 0.00 C ATOM 915 O VAL A 57 4.398 -11.648 -0.947 1.00 0.00 O ATOM 916 CB VAL A 57 2.563 -12.520 -3.354 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.960 -13.442 -4.396 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.492 -11.663 -2.706 1.00 0.00 C ATOM 0 H VAL A 57 1.988 -13.056 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 57 3.701 -14.246 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 57 3.266 -11.854 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.414 -12.852 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.755 -13.998 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.277 -14.140 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.958 -11.105 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.791 -12.302 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.956 -10.966 -2.008 1.00 0.00 H new ATOM 928 N PRO A 58 5.706 -12.798 -2.379 1.00 0.00 N ATOM 929 CA PRO A 58 6.944 -12.067 -2.087 1.00 0.00 C ATOM 930 C PRO A 58 6.831 -10.573 -2.430 1.00 0.00 C ATOM 931 O PRO A 58 6.453 -10.198 -3.549 1.00 0.00 O ATOM 932 CB PRO A 58 7.986 -12.747 -2.995 1.00 0.00 C ATOM 933 CG PRO A 58 7.195 -13.536 -3.992 1.00 0.00 C ATOM 934 CD PRO A 58 5.920 -13.896 -3.327 1.00 0.00 C ATOM 0 HA PRO A 58 7.196 -12.101 -1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.616 -12.008 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.647 -13.394 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.011 -12.950 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.738 -14.430 -4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.102 -13.973 -4.043 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.990 -14.857 -2.818 1.00 0.00 H new ATOM 942 N MET A 59 7.181 -9.719 -1.468 1.00 0.00 N ATOM 943 CA MET A 59 7.094 -8.263 -1.629 1.00 0.00 C ATOM 944 C MET A 59 8.052 -7.753 -2.701 1.00 0.00 C ATOM 945 O MET A 59 7.904 -6.648 -3.211 1.00 0.00 O ATOM 946 CB MET A 59 7.362 -7.551 -0.289 1.00 0.00 C ATOM 947 CG MET A 59 8.787 -7.700 0.237 1.00 0.00 C ATOM 948 SD MET A 59 9.941 -6.509 -0.476 1.00 0.00 S ATOM 949 CE MET A 59 11.466 -7.036 0.297 1.00 0.00 C ATOM 0 H MET A 59 7.532 -10.013 -0.557 1.00 0.00 H new ATOM 0 HA MET A 59 6.080 -8.032 -1.955 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.141 -6.490 -0.406 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.670 -7.940 0.458 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.780 -7.585 1.321 1.00 0.00 H new ATOM 0 HG3 MET A 59 9.141 -8.709 0.026 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.284 -6.399 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.370 -6.961 1.380 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.675 -8.070 0.022 1.00 0.00 H new ATOM 959 N ASN A 60 9.040 -8.556 -3.038 1.00 0.00 N ATOM 960 CA ASN A 60 10.031 -8.162 -4.024 1.00 0.00 C ATOM 961 C ASN A 60 9.562 -8.511 -5.420 1.00 0.00 C ATOM 962 O ASN A 60 10.122 -8.062 -6.420 1.00 0.00 O ATOM 963 CB ASN A 60 11.374 -8.838 -3.732 1.00 0.00 C ATOM 964 CG ASN A 60 11.376 -10.319 -4.061 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.645 -10.714 -5.194 1.00 0.00 O ATOM 966 ND2 ASN A 60 11.105 -11.146 -3.074 1.00 0.00 N ATOM 0 H ASN A 60 9.180 -9.487 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 60 10.163 -7.082 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.156 -8.343 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.620 -8.705 -2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.114 -12.153 -3.236 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.886 -10.780 -2.147 1.00 0.00 H new ATOM 973 N SER A 61 8.531 -9.313 -5.485 1.00 0.00 N ATOM 974 CA SER A 61 7.984 -9.759 -6.736 1.00 0.00 C ATOM 975 C SER A 61 6.779 -8.934 -7.137 1.00 0.00 C ATOM 976 O SER A 61 6.469 -8.782 -8.316 1.00 0.00 O ATOM 977 CB SER A 61 7.585 -11.202 -6.601 1.00 0.00 C ATOM 978 OG SER A 61 8.720 -12.025 -6.409 1.00 0.00 O ATOM 0 H SER A 61 8.046 -9.676 -4.665 1.00 0.00 H new ATOM 0 HA SER A 61 8.742 -9.642 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.901 -11.317 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.048 -11.520 -7.494 1.00 0.00 H new ATOM 0 HG SER A 61 9.494 -11.625 -6.859 1.00 0.00 H new ATOM 984 N LEU A 62 6.087 -8.411 -6.166 1.00 0.00 N ATOM 985 CA LEU A 62 4.922 -7.632 -6.439 1.00 0.00 C ATOM 986 C LEU A 62 5.193 -6.150 -6.122 1.00 0.00 C ATOM 987 O LEU A 62 6.122 -5.826 -5.392 1.00 0.00 O ATOM 988 CB LEU A 62 3.694 -8.255 -5.692 1.00 0.00 C ATOM 989 CG LEU A 62 3.237 -7.660 -4.346 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.380 -7.510 -3.380 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.494 -6.368 -4.552 1.00 0.00 C ATOM 0 H LEU A 62 6.313 -8.512 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 62 4.670 -7.655 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.843 -8.213 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.916 -9.309 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 62 2.542 -8.366 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.013 -7.087 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.824 -8.487 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.133 -6.847 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.183 -5.969 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.145 -5.649 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.615 -6.549 -5.170 1.00 0.00 H new ATOM 1003 N ARG A 63 4.411 -5.260 -6.690 1.00 0.00 N ATOM 1004 CA ARG A 63 4.618 -3.838 -6.478 1.00 0.00 C ATOM 1005 C ARG A 63 3.314 -3.083 -6.306 1.00 0.00 C ATOM 1006 O ARG A 63 2.351 -3.289 -7.046 1.00 0.00 O ATOM 1007 CB ARG A 63 5.439 -3.233 -7.612 1.00 0.00 C ATOM 1008 CG ARG A 63 4.889 -3.498 -9.005 1.00 0.00 C ATOM 1009 CD ARG A 63 5.747 -2.820 -10.043 1.00 0.00 C ATOM 1010 NE ARG A 63 5.358 -3.146 -11.417 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.846 -2.519 -12.497 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.691 -1.507 -12.352 1.00 0.00 N ATOM 1013 NH2 ARG A 63 5.481 -2.897 -13.712 1.00 0.00 N ATOM 0 H ARG A 63 3.627 -5.490 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 63 5.175 -3.737 -5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.504 -2.156 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.455 -3.625 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.858 -4.571 -9.193 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.864 -3.132 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.690 -1.741 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.787 -3.107 -9.889 1.00 0.00 H new ATOM 0 HE ARG A 63 4.677 -3.892 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.970 -1.205 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.062 -1.030 -13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.825 -3.669 -13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.856 -2.416 -14.530 1.00 0.00 H new ATOM 1027 N PHE A 64 3.287 -2.213 -5.312 1.00 0.00 N ATOM 1028 CA PHE A 64 2.126 -1.385 -5.023 1.00 0.00 C ATOM 1029 C PHE A 64 2.426 0.055 -5.372 1.00 0.00 C ATOM 1030 O PHE A 64 3.298 0.678 -4.770 1.00 0.00 O ATOM 1031 CB PHE A 64 1.747 -1.475 -3.538 1.00 0.00 C ATOM 1032 CG PHE A 64 2.675 -2.326 -2.714 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.454 -3.682 -2.596 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.764 -1.767 -2.060 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.293 -4.475 -1.845 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.612 -2.555 -1.304 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.376 -3.914 -1.197 1.00 0.00 C ATOM 0 H PHE A 64 4.072 -2.059 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 64 1.291 -1.747 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.726 -0.469 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.737 -1.875 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.610 -4.129 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.951 -0.706 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.104 -5.535 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.457 -2.111 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.036 -4.534 -0.609 1.00 0.00 H new ATOM 1047 N LEU A 65 1.719 0.584 -6.335 1.00 0.00 N ATOM 1048 CA LEU A 65 1.945 1.944 -6.755 1.00 0.00 C ATOM 1049 C LEU A 65 0.669 2.769 -6.831 1.00 0.00 C ATOM 1050 O LEU A 65 -0.440 2.245 -6.963 1.00 0.00 O ATOM 1051 CB LEU A 65 2.723 1.980 -8.088 1.00 0.00 C ATOM 1052 CG LEU A 65 2.339 0.929 -9.141 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.938 1.161 -9.666 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.340 0.938 -10.280 1.00 0.00 C ATOM 0 H LEU A 65 0.982 0.096 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 65 2.555 2.413 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.594 2.968 -8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.784 1.867 -7.866 1.00 0.00 H new ATOM 0 HG LEU A 65 2.357 -0.050 -8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.697 0.401 -10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.226 1.102 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.880 2.148 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.057 0.189 -11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.351 1.923 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.333 0.709 -9.893 1.00 0.00 H new ATOM 1066 N PHE A 66 0.841 4.063 -6.702 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.231 5.024 -6.832 1.00 0.00 C ATOM 1068 C PHE A 66 0.255 6.149 -7.710 1.00 0.00 C ATOM 1069 O PHE A 66 1.249 6.803 -7.389 1.00 0.00 O ATOM 1070 CB PHE A 66 -0.674 5.572 -5.464 1.00 0.00 C ATOM 1071 CG PHE A 66 -1.725 6.640 -5.578 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -2.918 6.367 -6.208 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.515 7.920 -5.069 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -3.881 7.331 -6.339 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.482 8.892 -5.198 1.00 0.00 C ATOM 1076 CZ PHE A 66 -3.668 8.599 -5.835 1.00 0.00 C ATOM 0 H PHE A 66 1.747 4.487 -6.500 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.098 4.535 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.059 4.753 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.193 5.976 -4.941 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.097 5.378 -6.604 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.586 8.152 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.810 7.099 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.311 9.882 -4.801 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.429 9.358 -5.940 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.415 6.370 -8.834 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.007 7.383 -9.806 1.00 0.00 C ATOM 1088 C GLU A 67 1.402 7.093 -10.336 1.00 0.00 C ATOM 1089 O GLU A 67 2.114 7.991 -10.785 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.064 8.786 -9.199 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.434 9.189 -8.705 1.00 0.00 C ATOM 1092 CD GLU A 67 -1.500 10.654 -8.357 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -0.706 11.103 -7.512 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -2.340 11.368 -8.939 1.00 0.00 O ATOM 0 H GLU A 67 -1.255 5.855 -9.099 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.709 7.342 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.640 8.840 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.268 9.507 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.176 8.965 -9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.692 8.596 -7.828 1.00 0.00 H new ATOM 1101 N GLY A 68 1.793 5.825 -10.292 1.00 0.00 N ATOM 1102 CA GLY A 68 3.091 5.419 -10.789 1.00 0.00 C ATOM 1103 C GLY A 68 4.188 5.493 -9.749 1.00 0.00 C ATOM 1104 O GLY A 68 5.351 5.213 -10.044 1.00 0.00 O ATOM 0 H GLY A 68 1.226 5.065 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.024 4.397 -11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.361 6.051 -11.635 1.00 0.00 H new ATOM 1108 N GLN A 69 3.835 5.847 -8.525 1.00 0.00 N ATOM 1109 CA GLN A 69 4.815 5.963 -7.465 1.00 0.00 C ATOM 1110 C GLN A 69 4.667 4.784 -6.529 1.00 0.00 C ATOM 1111 O GLN A 69 3.550 4.400 -6.169 1.00 0.00 O ATOM 1112 CB GLN A 69 4.635 7.293 -6.709 1.00 0.00 C ATOM 1113 CG GLN A 69 3.674 7.240 -5.537 1.00 0.00 C ATOM 1114 CD GLN A 69 3.194 8.610 -5.138 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.829 9.297 -4.339 1.00 0.00 O ATOM 1116 NE2 GLN A 69 2.061 9.004 -5.669 1.00 0.00 N ATOM 0 H GLN A 69 2.878 6.058 -8.243 1.00 0.00 H new ATOM 0 HA GLN A 69 5.819 5.959 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.609 7.622 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.285 8.049 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.818 6.618 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.165 6.766 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.569 8.400 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.672 9.914 -5.423 1.00 0.00 H new ATOM 1125 N ARG A 70 5.770 4.189 -6.140 1.00 0.00 N ATOM 1126 CA ARG A 70 5.710 3.043 -5.270 1.00 0.00 C ATOM 1127 C ARG A 70 5.310 3.458 -3.870 1.00 0.00 C ATOM 1128 O ARG A 70 5.755 4.493 -3.345 1.00 0.00 O ATOM 1129 CB ARG A 70 7.036 2.269 -5.252 1.00 0.00 C ATOM 1130 CG ARG A 70 8.215 3.045 -4.687 1.00 0.00 C ATOM 1131 CD ARG A 70 9.478 2.202 -4.689 1.00 0.00 C ATOM 1132 NE ARG A 70 9.362 1.023 -3.821 1.00 0.00 N ATOM 1133 CZ ARG A 70 9.994 -0.137 -4.029 1.00 0.00 C ATOM 1134 NH1 ARG A 70 10.783 -0.292 -5.090 1.00 0.00 N ATOM 1135 NH2 ARG A 70 9.834 -1.142 -3.175 1.00 0.00 N ATOM 0 H ARG A 70 6.710 4.477 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 70 4.948 2.371 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.903 1.359 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.275 1.961 -6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.376 3.948 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.990 3.365 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.696 1.881 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.320 2.811 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 70 8.757 1.094 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.908 0.476 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.263 -1.179 -5.244 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.229 -1.029 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.316 -2.027 -3.333 1.00 0.00 H new ATOM 1149 N ILE A 71 4.446 2.692 -3.265 1.00 0.00 N ATOM 1150 CA ILE A 71 4.014 2.982 -1.934 1.00 0.00 C ATOM 1151 C ILE A 71 5.064 2.512 -0.946 1.00 0.00 C ATOM 1152 O ILE A 71 5.170 1.322 -0.641 1.00 0.00 O ATOM 1153 CB ILE A 71 2.651 2.339 -1.613 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.663 2.564 -2.774 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.091 2.919 -0.323 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.455 4.021 -3.147 1.00 0.00 C ATOM 0 H ILE A 71 4.027 1.859 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 71 3.886 4.061 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 71 2.793 1.266 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.022 2.025 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.700 2.129 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.128 2.458 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.782 2.720 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.961 3.996 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.746 4.088 -3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.064 4.564 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.406 4.458 -3.450 1.00 0.00 H new ATOM 1168 N ALA A 72 5.860 3.455 -0.479 1.00 0.00 N ATOM 1169 CA ALA A 72 6.942 3.190 0.447 1.00 0.00 C ATOM 1170 C ALA A 72 6.424 2.716 1.797 1.00 0.00 C ATOM 1171 O ALA A 72 5.218 2.756 2.073 1.00 0.00 O ATOM 1172 CB ALA A 72 7.780 4.442 0.617 1.00 0.00 C ATOM 0 H ALA A 72 5.771 4.438 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 72 7.556 2.390 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.594 4.243 1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.192 4.738 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.157 5.247 1.007 1.00 0.00 H new ATOM 1178 N ASP A 73 7.345 2.313 2.662 1.00 0.00 N ATOM 1179 CA ASP A 73 7.005 1.794 3.984 1.00 0.00 C ATOM 1180 C ASP A 73 6.470 2.891 4.876 1.00 0.00 C ATOM 1181 O ASP A 73 5.757 2.639 5.844 1.00 0.00 O ATOM 1182 CB ASP A 73 8.219 1.105 4.623 1.00 0.00 C ATOM 1183 CG ASP A 73 8.052 0.838 6.115 1.00 0.00 C ATOM 1184 OD1 ASP A 73 7.358 -0.129 6.476 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.636 1.584 6.925 1.00 0.00 O ATOM 0 H ASP A 73 8.346 2.336 2.470 1.00 0.00 H new ATOM 0 HA ASP A 73 6.217 1.050 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.401 0.160 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.102 1.726 4.470 1.00 0.00 H new ATOM 1190 N ASN A 74 6.772 4.115 4.525 1.00 0.00 N ATOM 1191 CA ASN A 74 6.356 5.252 5.302 1.00 0.00 C ATOM 1192 C ASN A 74 5.292 6.052 4.567 1.00 0.00 C ATOM 1193 O ASN A 74 4.821 7.066 5.065 1.00 0.00 O ATOM 1194 CB ASN A 74 7.556 6.156 5.614 1.00 0.00 C ATOM 1195 CG ASN A 74 8.265 6.659 4.362 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.296 5.987 3.330 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.834 7.830 4.442 1.00 0.00 N ATOM 0 H ASN A 74 7.313 4.350 3.693 1.00 0.00 H new ATOM 0 HA ASN A 74 5.933 4.882 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.218 7.010 6.201 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.267 5.607 6.231 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.324 8.215 3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.789 8.360 5.312 1.00 0.00 H new ATOM 1204 N HIS A 75 4.894 5.599 3.373 1.00 0.00 N ATOM 1205 CA HIS A 75 3.893 6.336 2.608 1.00 0.00 C ATOM 1206 C HIS A 75 2.528 6.200 3.252 1.00 0.00 C ATOM 1207 O HIS A 75 2.131 5.111 3.683 1.00 0.00 O ATOM 1208 CB HIS A 75 3.832 5.868 1.154 1.00 0.00 C ATOM 1209 CG HIS A 75 4.311 6.895 0.169 1.00 0.00 C ATOM 1210 ND1 HIS A 75 4.731 6.590 -1.112 1.00 0.00 N ATOM 1211 CD2 HIS A 75 4.415 8.242 0.277 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.068 7.698 -1.734 1.00 0.00 C ATOM 1213 NE2 HIS A 75 4.886 8.711 -0.917 1.00 0.00 N ATOM 0 H HIS A 75 5.241 4.749 2.928 1.00 0.00 H new ATOM 0 HA HIS A 75 4.190 7.385 2.610 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.434 4.966 1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.805 5.596 0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.171 8.835 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.434 7.765 -2.748 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.067 9.690 -1.138 1.00 0.00 H new ATOM 1222 N THR A 76 1.802 7.296 3.308 1.00 0.00 N ATOM 1223 CA THR A 76 0.505 7.330 3.947 1.00 0.00 C ATOM 1224 C THR A 76 -0.507 8.003 3.030 1.00 0.00 C ATOM 1225 O THR A 76 -0.116 8.651 2.051 1.00 0.00 O ATOM 1226 CB THR A 76 0.602 8.160 5.245 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.873 9.518 4.908 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.726 7.660 6.113 1.00 0.00 C ATOM 0 H THR A 76 2.095 8.189 2.911 1.00 0.00 H new ATOM 0 HA THR A 76 0.190 6.309 4.164 1.00 0.00 H new ATOM 0 HB THR A 76 -0.341 8.070 5.785 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.388 9.937 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.777 8.258 7.023 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.548 6.617 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.668 7.742 5.571 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.820 7.866 3.315 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.861 8.550 2.549 1.00 0.00 C ATOM 1238 C PRO A 77 -2.665 10.062 2.561 1.00 0.00 C ATOM 1239 O PRO A 77 -2.937 10.747 1.571 1.00 0.00 O ATOM 1240 CB PRO A 77 -4.166 8.178 3.271 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.749 7.604 4.584 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.393 7.012 4.369 1.00 0.00 C ATOM 0 HA PRO A 77 -2.852 8.255 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.800 9.053 3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.742 7.456 2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.719 8.375 5.354 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.456 6.845 4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.793 7.037 5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.453 5.970 4.055 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.164 10.580 3.680 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.936 12.008 3.824 1.00 0.00 C ATOM 1252 C LYS A 78 -0.697 12.439 3.042 1.00 0.00 C ATOM 1253 O LYS A 78 -0.618 13.555 2.549 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.785 12.393 5.307 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.516 11.884 5.964 1.00 0.00 C ATOM 1256 CD LYS A 78 0.161 12.960 6.787 1.00 0.00 C ATOM 1257 CE LYS A 78 0.904 13.948 5.908 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.570 15.003 6.710 1.00 0.00 N ATOM 0 H LYS A 78 -1.909 10.028 4.499 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.804 12.527 3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.812 13.479 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.643 12.009 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.753 11.033 6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.172 11.526 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.585 13.489 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.858 12.499 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.649 13.418 5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.207 14.409 5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.067 15.660 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.857 15.525 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.254 14.565 7.360 1.00 0.00 H new ATOM 1272 N GLU A 79 0.273 11.540 2.919 1.00 0.00 N ATOM 1273 CA GLU A 79 1.514 11.848 2.232 1.00 0.00 C ATOM 1274 C GLU A 79 1.314 11.775 0.732 1.00 0.00 C ATOM 1275 O GLU A 79 1.886 12.551 -0.033 1.00 0.00 O ATOM 1276 CB GLU A 79 2.600 10.874 2.655 1.00 0.00 C ATOM 1277 CG GLU A 79 4.007 11.363 2.381 1.00 0.00 C ATOM 1278 CD GLU A 79 5.046 10.585 3.148 1.00 0.00 C ATOM 1279 OE1 GLU A 79 5.283 10.917 4.327 1.00 0.00 O ATOM 1280 OE2 GLU A 79 5.629 9.640 2.585 1.00 0.00 O ATOM 0 H GLU A 79 0.220 10.591 3.288 1.00 0.00 H new ATOM 0 HA GLU A 79 1.819 12.860 2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.498 10.672 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.448 9.928 2.136 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.214 11.286 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.080 12.418 2.644 1.00 0.00 H new ATOM 1287 N LEU A 80 0.507 10.820 0.315 1.00 0.00 N ATOM 1288 CA LEU A 80 0.200 10.611 -1.084 1.00 0.00 C ATOM 1289 C LEU A 80 -0.866 11.581 -1.576 1.00 0.00 C ATOM 1290 O LEU A 80 -1.101 11.708 -2.780 1.00 0.00 O ATOM 1291 CB LEU A 80 -0.246 9.170 -1.285 1.00 0.00 C ATOM 1292 CG LEU A 80 0.848 8.137 -1.046 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.275 6.751 -0.901 1.00 0.00 C ATOM 1294 CD2 LEU A 80 1.834 8.172 -2.179 1.00 0.00 C ATOM 0 H LEU A 80 0.043 10.163 0.942 1.00 0.00 H new ATOM 0 HA LEU A 80 1.098 10.801 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.079 8.962 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.621 9.056 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 80 1.354 8.387 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.083 6.039 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.412 6.728 -0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.261 6.482 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.615 7.432 -2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.322 7.946 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.282 9.164 -2.241 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.514 12.269 -0.641 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.541 13.234 -1.002 1.00 0.00 C ATOM 1308 C GLY A 81 -3.736 12.580 -1.664 1.00 0.00 C ATOM 1309 O GLY A 81 -4.231 13.053 -2.690 1.00 0.00 O ATOM 0 H GLY A 81 -1.347 12.177 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.869 13.764 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.117 13.978 -1.676 1.00 0.00 H new ATOM 1313 N MET A 82 -4.192 11.480 -1.093 1.00 0.00 N ATOM 1314 CA MET A 82 -5.328 10.745 -1.631 1.00 0.00 C ATOM 1315 C MET A 82 -6.623 11.100 -0.891 1.00 0.00 C ATOM 1316 O MET A 82 -6.614 11.874 0.070 1.00 0.00 O ATOM 1317 CB MET A 82 -5.074 9.248 -1.523 1.00 0.00 C ATOM 1318 CG MET A 82 -3.820 8.801 -2.236 1.00 0.00 C ATOM 1319 SD MET A 82 -3.577 7.023 -2.184 1.00 0.00 S ATOM 1320 CE MET A 82 -3.321 6.778 -0.440 1.00 0.00 C ATOM 0 H MET A 82 -3.790 11.071 -0.249 1.00 0.00 H new ATOM 0 HA MET A 82 -5.444 11.025 -2.678 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.002 8.974 -0.470 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.929 8.711 -1.935 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.865 9.125 -3.276 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.958 9.293 -1.786 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.190 5.715 -0.237 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.430 7.320 -0.123 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.186 7.149 0.110 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.732 10.518 -1.331 1.00 0.00 N ATOM 1331 CA GLU A 83 -9.031 10.733 -0.696 1.00 0.00 C ATOM 1332 C GLU A 83 -9.614 9.400 -0.249 1.00 0.00 C ATOM 1333 O GLU A 83 -8.996 8.354 -0.433 1.00 0.00 O ATOM 1334 CB GLU A 83 -10.006 11.440 -1.643 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.626 12.871 -1.971 1.00 0.00 C ATOM 1336 CD GLU A 83 -10.704 13.590 -2.745 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.607 14.174 -2.111 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -10.656 13.579 -3.994 1.00 0.00 O ATOM 0 H GLU A 83 -7.759 9.888 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.881 11.375 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.071 10.871 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.000 11.433 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.425 13.412 -1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.703 12.875 -2.550 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.802 9.422 0.336 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.424 8.203 0.803 1.00 0.00 C ATOM 1347 C GLU A 84 -12.068 7.414 -0.331 1.00 0.00 C ATOM 1348 O GLU A 84 -12.636 7.977 -1.267 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.412 8.462 1.950 1.00 0.00 C ATOM 1350 CG GLU A 84 -12.990 9.877 2.013 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.830 10.236 0.816 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -15.012 9.843 0.779 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.312 10.921 -0.087 1.00 0.00 O ATOM 0 H GLU A 84 -11.348 10.268 0.496 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.624 7.581 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.237 7.755 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.910 8.251 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.595 9.974 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.172 10.592 2.100 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.944 6.096 -0.232 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.418 5.144 -1.237 1.00 0.00 C ATOM 1362 C GLU A 85 -11.574 5.215 -2.496 1.00 0.00 C ATOM 1363 O GLU A 85 -11.976 4.743 -3.560 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.910 5.311 -1.557 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.808 4.326 -0.817 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.479 2.872 -1.142 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -14.846 2.403 -2.241 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -13.858 2.193 -0.296 1.00 0.00 O ATOM 0 H GLU A 85 -11.500 5.645 0.568 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.305 4.150 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.215 6.327 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.059 5.189 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.709 4.486 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.848 4.525 -1.074 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.387 5.803 -2.377 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.465 5.865 -3.500 1.00 0.00 C ATOM 1377 C ASP A 86 -8.914 4.467 -3.775 1.00 0.00 C ATOM 1378 O ASP A 86 -9.114 3.539 -2.975 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.320 6.846 -3.228 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.822 7.522 -4.497 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.487 6.815 -5.472 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.778 8.770 -4.531 1.00 0.00 O ATOM 0 H ASP A 86 -10.046 6.239 -1.521 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.004 6.226 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.656 7.606 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.494 6.315 -2.755 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.202 4.303 -4.868 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.730 2.992 -5.246 1.00 0.00 C ATOM 1389 C VAL A 87 -6.236 2.987 -5.565 1.00 0.00 C ATOM 1390 O VAL A 87 -5.725 3.841 -6.296 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.538 2.397 -6.447 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.032 2.403 -6.149 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.257 3.148 -7.743 1.00 0.00 C ATOM 0 H VAL A 87 -7.939 5.055 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.894 2.354 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.209 1.366 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.574 1.985 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.228 1.802 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.364 3.426 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.836 2.705 -8.553 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.539 4.194 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.195 3.082 -7.979 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.530 2.040 -4.986 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.113 1.861 -5.246 1.00 0.00 C ATOM 1405 C ILE A 88 -3.944 0.670 -6.177 1.00 0.00 C ATOM 1406 O ILE A 88 -4.672 -0.311 -6.058 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.304 1.615 -3.920 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.013 2.936 -3.194 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -2.003 0.859 -4.185 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.241 3.650 -2.678 1.00 0.00 C ATOM 0 H ILE A 88 -5.919 1.371 -4.322 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.722 2.770 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.928 0.996 -3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.345 2.736 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.481 3.601 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.472 0.708 -3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.229 -0.108 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.378 1.437 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.943 4.572 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.902 3.885 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.765 3.008 -1.970 1.00 0.00 H new ATOM 1422 N GLU A 89 -2.986 0.734 -7.079 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.787 -0.332 -8.041 1.00 0.00 C ATOM 1424 C GLU A 89 -1.660 -1.251 -7.583 1.00 0.00 C ATOM 1425 O GLU A 89 -0.639 -0.794 -7.043 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.483 0.248 -9.420 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.299 -0.798 -10.499 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.549 -1.611 -10.742 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.391 -1.182 -11.566 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -3.701 -2.682 -10.122 1.00 0.00 O ATOM 0 H GLU A 89 -2.333 1.513 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.703 -0.918 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.295 0.915 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.579 0.854 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.003 -0.309 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.485 -1.466 -10.217 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.836 -2.538 -7.781 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.867 -3.519 -7.355 1.00 0.00 C ATOM 1439 C VAL A 90 -0.611 -4.561 -8.437 1.00 0.00 C ATOM 1440 O VAL A 90 -1.531 -5.213 -8.943 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.319 -4.227 -6.046 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.542 -5.509 -5.832 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.134 -3.309 -4.853 1.00 0.00 C ATOM 0 H VAL A 90 -2.656 -2.933 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 90 0.062 -2.982 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.377 -4.471 -6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.875 -5.987 -4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.712 -6.182 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.522 -5.282 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.456 -3.821 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.082 -3.037 -4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.731 -2.408 -4.991 1.00 0.00 H new ATOM 1453 N TYR A 91 0.642 -4.727 -8.789 1.00 0.00 N ATOM 1454 CA TYR A 91 1.025 -5.714 -9.767 1.00 0.00 C ATOM 1455 C TYR A 91 1.824 -6.810 -9.107 1.00 0.00 C ATOM 1456 O TYR A 91 2.570 -6.558 -8.173 1.00 0.00 O ATOM 1457 CB TYR A 91 1.831 -5.087 -10.894 1.00 0.00 C ATOM 1458 CG TYR A 91 1.088 -4.011 -11.638 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.024 -4.330 -12.469 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.446 -2.679 -11.512 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.661 -3.354 -13.154 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.766 -1.695 -12.194 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.287 -2.038 -13.016 1.00 0.00 C ATOM 1464 OH TYR A 91 -0.968 -1.061 -13.702 1.00 0.00 O ATOM 0 H TYR A 91 1.418 -4.186 -8.408 1.00 0.00 H new ATOM 0 HA TYR A 91 0.117 -6.138 -10.196 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.748 -4.666 -10.483 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.125 -5.867 -11.597 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.272 -5.363 -12.580 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.271 -2.408 -10.869 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.488 -3.619 -13.796 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.056 -0.660 -12.086 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.580 -0.185 -13.495 1.00 0.00 H new ATOM 1474 N GLN A 92 1.671 -8.024 -9.575 1.00 0.00 N ATOM 1475 CA GLN A 92 2.378 -9.148 -8.997 1.00 0.00 C ATOM 1476 C GLN A 92 3.011 -10.010 -10.081 1.00 0.00 C ATOM 1477 O GLN A 92 2.334 -10.503 -10.986 1.00 0.00 O ATOM 1478 CB GLN A 92 1.439 -9.978 -8.100 1.00 0.00 C ATOM 1479 CG GLN A 92 0.263 -10.612 -8.839 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.744 -11.274 -7.915 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -1.379 -12.257 -8.281 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.916 -10.729 -6.724 1.00 0.00 N ATOM 0 H GLN A 92 1.062 -8.263 -10.357 1.00 0.00 H new ATOM 0 HA GLN A 92 3.183 -8.760 -8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.018 -10.766 -7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.052 -9.337 -7.308 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.243 -9.846 -9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.642 -11.354 -9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.370 -9.911 -6.454 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.595 -11.126 -6.075 1.00 0.00 H new ATOM 1491 N GLU A 93 4.321 -10.140 -10.023 1.00 0.00 N ATOM 1492 CA GLU A 93 5.043 -10.982 -10.960 1.00 0.00 C ATOM 1493 C GLU A 93 4.679 -12.449 -10.767 1.00 0.00 C ATOM 1494 O GLU A 93 4.135 -12.837 -9.730 1.00 0.00 O ATOM 1495 CB GLU A 93 6.544 -10.765 -10.831 1.00 0.00 C ATOM 1496 CG GLU A 93 7.003 -9.438 -11.414 1.00 0.00 C ATOM 1497 CD GLU A 93 6.661 -9.310 -12.884 1.00 0.00 C ATOM 1498 OE1 GLU A 93 7.462 -9.766 -13.723 1.00 0.00 O ATOM 1499 OE2 GLU A 93 5.587 -8.759 -13.212 1.00 0.00 O ATOM 0 H GLU A 93 4.911 -9.672 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 93 4.748 -10.699 -11.970 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.823 -10.809 -9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 93 7.068 -11.578 -11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.539 -8.621 -10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.081 -9.339 -11.283 1.00 0.00 H new ATOM 1506 N GLN A 94 4.984 -13.275 -11.760 1.00 0.00 N ATOM 1507 CA GLN A 94 4.607 -14.681 -11.710 1.00 0.00 C ATOM 1508 C GLN A 94 5.768 -15.547 -11.249 1.00 0.00 C ATOM 1509 O GLN A 94 5.571 -16.626 -10.699 1.00 0.00 O ATOM 1510 CB GLN A 94 4.102 -15.155 -13.078 1.00 0.00 C ATOM 1511 CG GLN A 94 5.119 -15.012 -14.202 1.00 0.00 C ATOM 1512 CD GLN A 94 4.599 -15.518 -15.532 1.00 0.00 C ATOM 1513 OE1 GLN A 94 3.779 -16.437 -15.583 1.00 0.00 O ATOM 1514 NE2 GLN A 94 5.072 -14.930 -16.610 1.00 0.00 N ATOM 0 H GLN A 94 5.487 -12.998 -12.603 1.00 0.00 H new ATOM 0 HA GLN A 94 3.800 -14.782 -10.984 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.807 -16.201 -13.001 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.207 -14.590 -13.338 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.399 -13.963 -14.302 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.024 -15.560 -13.939 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.750 -14.173 -16.522 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.761 -15.231 -17.533 1.00 0.00 H new ATOM 1523 N THR A 95 6.978 -15.084 -11.472 1.00 0.00 N ATOM 1524 CA THR A 95 8.142 -15.823 -11.076 1.00 0.00 C ATOM 1525 C THR A 95 9.045 -14.973 -10.180 1.00 0.00 C ATOM 1526 O THR A 95 9.607 -13.956 -10.603 1.00 0.00 O ATOM 1527 CB THR A 95 8.920 -16.369 -12.313 1.00 0.00 C ATOM 1528 OG1 THR A 95 10.096 -17.068 -11.906 1.00 0.00 O ATOM 1529 CG2 THR A 95 9.295 -15.258 -13.285 1.00 0.00 C ATOM 0 H THR A 95 7.175 -14.193 -11.928 1.00 0.00 H new ATOM 0 HA THR A 95 7.810 -16.685 -10.498 1.00 0.00 H new ATOM 0 HB THR A 95 8.251 -17.059 -12.828 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.568 -17.403 -12.697 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.835 -15.682 -14.131 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.390 -14.766 -13.642 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.928 -14.530 -12.778 1.00 0.00 H new ATOM 1537 N GLY A 96 9.142 -15.362 -8.928 1.00 0.00 N ATOM 1538 CA GLY A 96 9.964 -14.645 -7.989 1.00 0.00 C ATOM 1539 C GLY A 96 9.801 -15.160 -6.572 1.00 0.00 C ATOM 1540 O GLY A 96 8.903 -15.965 -6.290 1.00 0.00 O ATOM 0 H GLY A 96 8.660 -16.173 -8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.009 -14.729 -8.286 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.708 -13.586 -8.020 1.00 0.00 H new ATOM 1544 N GLY A 97 10.669 -14.715 -5.681 1.00 0.00 N ATOM 1545 CA GLY A 97 10.599 -15.124 -4.299 1.00 0.00 C ATOM 1546 C GLY A 97 11.795 -14.641 -3.520 1.00 0.00 C ATOM 1547 O GLY A 97 12.397 -13.630 -3.933 1.00 0.00 O ATOM 1548 OXT GLY A 97 12.137 -15.258 -2.492 1.00 0.00 O ATOM 0 H GLY A 97 11.430 -14.070 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.687 -14.732 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.541 -16.211 -4.242 1.00 0.00 H new TER 1552 GLY A 97