USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.037) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -62:sc= 0.87 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.766 USER MOD Set 3.1: A 2 CYS SG : rot -66:sc= -0.254! USER MOD Set 3.2: A 5 CYS SG : rot 42:sc= -0.487 USER MOD Set 3.3: A 30 CYS SG : rot 150:sc= 0.254 USER MOD Set 3.4: A 33 CYS SG : rot -53:sc= 2.67 USER MOD Set 3.5: A 61 CYS SG : rot -155:sc= 0.631 USER MOD Set 3.6: A 63 ASN : amide:sc= 0.0956 K(o=4.2,f=2.5) USER MOD Set 3.7: A 64 CYS SG : rot -108:sc= 0.876 USER MOD Set 3.8: A 66 HIS : no HE2:sc= 0.38 K(o=4.2,f=0.11) USER MOD Set 4.1: A 22 SER OG : rot -60:sc= 0.904 USER MOD Set 4.2: A 57 TYR OH : rot -175:sc= 0.162 USER MOD Set 4.3: A 59 HIS : no HD1:sc= 0.882 K(o=4.1,f=-0.74) USER MOD Set 4.4: A 71 HIS : no HD1:sc= 0.31 K(o=4.1,f=0.6!) USER MOD Set 4.5: A 88 CYS SG : rot 41:sc= 1.9 USER MOD Set 4.6: A 91 CYS SG : rot 180:sc= -0.067 USER MOD Set 5.1: A 20 ASN : amide:sc= 1.01 K(o=2,f=-2.3) USER MOD Set 5.2: A 44 LYS NZ :NH3+ 138:sc= 1.01 (180deg=0.595) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.956 K(o=0.96,f=-1.4) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.564 USER MOD Single : A 17 CYS SG : rot 64:sc= 4.4e-05 USER MOD Single : A 26 ASN : amide:sc= 2.2 K(o=2.2,f=-7.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00898 USER MOD Single : A 34 SER OG : rot -47:sc= 0.115 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -148:sc= -0.0125 (180deg=-2.32) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.07 K(o=2.1,f=-0.083) USER MOD Single : A 45 SER OG : rot 59:sc= 0.0731 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -24:sc= 0.0269 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.103) USER MOD Single : A 86 MET CE :methyl -170:sc= 0 (180deg=-0.189) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=0.000358 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.076 14.933 -8.675 1.00 0.00 N ATOM 2 CA CYS A 2 -0.588 15.414 -9.957 1.00 0.00 C ATOM 3 C CYS A 2 0.837 14.905 -10.287 1.00 0.00 C ATOM 4 O CYS A 2 1.467 15.351 -11.251 1.00 0.00 O ATOM 5 CB CYS A 2 -0.790 16.958 -10.039 1.00 0.00 C ATOM 6 SG CYS A 2 -0.730 17.916 -8.457 1.00 0.00 S ATOM 0 HA CYS A 2 -1.182 14.982 -10.762 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.027 17.362 -10.705 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.755 17.146 -10.509 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.742 17.586 -7.711 1.00 0.00 H new ATOM 11 N GLY A 3 1.353 13.969 -9.481 1.00 0.00 N ATOM 12 CA GLY A 3 2.694 13.375 -9.563 1.00 0.00 C ATOM 13 C GLY A 3 3.776 14.337 -9.063 1.00 0.00 C ATOM 14 O GLY A 3 4.720 13.911 -8.401 1.00 0.00 O ATOM 0 H GLY A 3 0.813 13.582 -8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.722 12.459 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.905 13.096 -10.595 1.00 0.00 H new ATOM 18 N ASP A 4 3.601 15.644 -9.274 1.00 0.00 N ATOM 19 CA ASP A 4 4.448 16.671 -8.661 1.00 0.00 C ATOM 20 C ASP A 4 4.234 16.689 -7.127 1.00 0.00 C ATOM 21 O ASP A 4 5.095 17.186 -6.393 1.00 0.00 O ATOM 22 CB ASP A 4 4.161 18.041 -9.287 1.00 0.00 C ATOM 23 CG ASP A 4 4.835 18.201 -10.660 1.00 0.00 C ATOM 24 OD1 ASP A 4 6.088 18.242 -10.716 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.125 18.315 -11.688 1.00 0.00 O ATOM 0 H ASP A 4 2.868 16.020 -9.875 1.00 0.00 H new ATOM 0 HA ASP A 4 5.495 16.434 -8.851 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.084 18.172 -9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.512 18.826 -8.617 1.00 0.00 H new ATOM 30 N CYS A 5 3.122 16.105 -6.647 1.00 0.00 N ATOM 31 CA CYS A 5 2.790 15.929 -5.237 1.00 0.00 C ATOM 32 C CYS A 5 3.815 15.044 -4.485 1.00 0.00 C ATOM 33 O CYS A 5 3.964 15.170 -3.268 1.00 0.00 O ATOM 34 CB CYS A 5 1.408 15.246 -5.089 1.00 0.00 C ATOM 35 SG CYS A 5 -0.018 16.167 -5.754 1.00 0.00 S ATOM 0 H CYS A 5 2.403 15.729 -7.265 1.00 0.00 H new ATOM 0 HA CYS A 5 2.794 16.930 -4.805 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.450 14.276 -5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.231 15.057 -4.030 1.00 0.00 H new ATOM 0 HG CYS A 5 0.301 16.693 -6.899 1.00 0.00 H new ATOM 40 N VAL A 6 4.496 14.123 -5.183 1.00 0.00 N ATOM 41 CA VAL A 6 5.420 13.135 -4.593 1.00 0.00 C ATOM 42 C VAL A 6 6.885 13.420 -4.978 1.00 0.00 C ATOM 43 O VAL A 6 7.184 13.760 -6.125 1.00 0.00 O ATOM 44 CB VAL A 6 5.000 11.689 -4.957 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.538 11.407 -4.578 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.149 11.283 -6.428 1.00 0.00 C ATOM 0 H VAL A 6 4.420 14.040 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 6 5.355 13.232 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 6 5.709 11.099 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.283 10.383 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.408 11.541 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.884 12.097 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.823 10.251 -6.555 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.536 11.936 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.193 11.373 -6.726 1.00 0.00 H new ATOM 56 N GLU A 7 7.822 13.278 -4.036 1.00 0.00 N ATOM 57 CA GLU A 7 9.267 13.467 -4.265 1.00 0.00 C ATOM 58 C GLU A 7 9.821 12.412 -5.245 1.00 0.00 C ATOM 59 O GLU A 7 10.638 12.735 -6.112 1.00 0.00 O ATOM 60 CB GLU A 7 10.012 13.477 -2.913 1.00 0.00 C ATOM 61 CG GLU A 7 11.536 13.508 -3.043 1.00 0.00 C ATOM 62 CD GLU A 7 12.217 13.813 -1.694 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.406 15.009 -1.362 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.597 12.860 -0.972 1.00 0.00 O ATOM 0 H GLU A 7 7.599 13.024 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 7 9.432 14.434 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.689 14.345 -2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.724 12.593 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.889 12.548 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.824 14.263 -3.775 1.00 0.00 H new ATOM 71 N LYS A 8 9.332 11.168 -5.147 1.00 0.00 N ATOM 72 CA LYS A 8 9.635 10.035 -6.032 1.00 0.00 C ATOM 73 C LYS A 8 8.345 9.274 -6.345 1.00 0.00 C ATOM 74 O LYS A 8 7.485 9.124 -5.477 1.00 0.00 O ATOM 75 CB LYS A 8 10.648 9.086 -5.363 1.00 0.00 C ATOM 76 CG LYS A 8 12.052 9.698 -5.241 1.00 0.00 C ATOM 77 CD LYS A 8 13.042 8.693 -4.632 1.00 0.00 C ATOM 78 CE LYS A 8 14.427 9.310 -4.381 1.00 0.00 C ATOM 79 NZ LYS A 8 15.144 9.645 -5.641 1.00 0.00 N ATOM 0 H LYS A 8 8.678 10.911 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 8 10.070 10.415 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.286 8.819 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.709 8.163 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.403 10.009 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.009 10.593 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.640 8.316 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.144 7.838 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.314 10.213 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.030 8.613 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.071 10.057 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.278 8.781 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.585 10.331 -6.187 1.00 0.00 H new ATOM 93 N GLU A 9 8.228 8.766 -7.568 1.00 0.00 N ATOM 94 CA GLU A 9 7.101 7.929 -8.005 1.00 0.00 C ATOM 95 C GLU A 9 7.330 6.482 -7.540 1.00 0.00 C ATOM 96 O GLU A 9 8.369 5.896 -7.853 1.00 0.00 O ATOM 97 CB GLU A 9 6.994 7.959 -9.543 1.00 0.00 C ATOM 98 CG GLU A 9 6.311 9.220 -10.082 1.00 0.00 C ATOM 99 CD GLU A 9 6.905 9.642 -11.440 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.407 9.182 -12.497 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.877 10.437 -11.462 1.00 0.00 O ATOM 0 H GLU A 9 8.921 8.923 -8.299 1.00 0.00 H new ATOM 0 HA GLU A 9 6.178 8.314 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.994 7.886 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.439 7.083 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.242 9.039 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.425 10.033 -9.365 1.00 0.00 H new ATOM 108 N TYR A 10 6.369 5.904 -6.808 1.00 0.00 N ATOM 109 CA TYR A 10 6.425 4.529 -6.276 1.00 0.00 C ATOM 110 C TYR A 10 7.779 4.187 -5.612 1.00 0.00 C ATOM 111 O TYR A 10 8.474 3.260 -6.044 1.00 0.00 O ATOM 112 CB TYR A 10 6.005 3.501 -7.345 1.00 0.00 C ATOM 113 CG TYR A 10 4.642 3.715 -7.990 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.455 4.754 -8.925 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.560 2.872 -7.658 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.192 4.978 -9.496 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.286 3.105 -8.219 1.00 0.00 C ATOM 118 CZ TYR A 10 2.100 4.157 -9.143 1.00 0.00 C ATOM 119 OH TYR A 10 0.875 4.390 -9.689 1.00 0.00 O ATOM 0 H TYR A 10 5.507 6.389 -6.561 1.00 0.00 H new ATOM 0 HA TYR A 10 5.695 4.472 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.759 3.499 -8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.016 2.511 -6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.289 5.381 -9.204 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.707 2.049 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.056 5.780 -10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.452 2.478 -7.941 1.00 0.00 H new ATOM 0 HH TYR A 10 0.233 3.736 -9.343 1.00 0.00 H new ATOM 129 N PRO A 11 8.182 4.931 -4.562 1.00 0.00 N ATOM 130 CA PRO A 11 9.451 4.714 -3.867 1.00 0.00 C ATOM 131 C PRO A 11 9.501 3.332 -3.204 1.00 0.00 C ATOM 132 O PRO A 11 8.490 2.855 -2.692 1.00 0.00 O ATOM 133 CB PRO A 11 9.511 5.829 -2.817 1.00 0.00 C ATOM 134 CG PRO A 11 8.048 6.145 -2.535 1.00 0.00 C ATOM 135 CD PRO A 11 7.440 6.016 -3.927 1.00 0.00 C ATOM 0 HA PRO A 11 10.299 4.741 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.030 5.502 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.043 6.703 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.605 5.445 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.916 7.144 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.375 5.788 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.539 6.945 -4.489 1.00 0.00 H new ATOM 143 N ASN A 12 10.659 2.673 -3.155 1.00 0.00 N ATOM 144 CA ASN A 12 10.762 1.397 -2.444 1.00 0.00 C ATOM 145 C ASN A 12 10.823 1.658 -0.928 1.00 0.00 C ATOM 146 O ASN A 12 11.409 2.653 -0.487 1.00 0.00 O ATOM 147 CB ASN A 12 11.976 0.605 -2.953 1.00 0.00 C ATOM 148 CG ASN A 12 11.896 0.260 -4.434 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.780 0.582 -5.215 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.844 -0.392 -4.880 1.00 0.00 N ATOM 0 H ASN A 12 11.524 2.993 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 12 9.880 0.787 -2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.881 1.185 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.067 -0.316 -2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.771 -0.625 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.102 -0.665 -4.235 1.00 0.00 H new ATOM 157 N ARG A 13 10.205 0.783 -0.121 1.00 0.00 N ATOM 158 CA ARG A 13 10.087 0.952 1.345 1.00 0.00 C ATOM 159 C ARG A 13 10.740 -0.159 2.169 1.00 0.00 C ATOM 160 O ARG A 13 10.263 -0.501 3.250 1.00 0.00 O ATOM 161 CB ARG A 13 8.610 1.175 1.731 1.00 0.00 C ATOM 162 CG ARG A 13 7.883 2.333 1.030 1.00 0.00 C ATOM 163 CD ARG A 13 8.597 3.695 1.035 1.00 0.00 C ATOM 164 NE ARG A 13 9.094 4.082 2.371 1.00 0.00 N ATOM 165 CZ ARG A 13 10.334 4.387 2.717 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.340 4.324 1.890 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.595 4.760 3.935 1.00 0.00 N ATOM 0 H ARG A 13 9.767 -0.071 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 13 10.663 1.841 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.062 0.255 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.561 1.343 2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.704 2.046 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.907 2.458 1.500 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.434 3.663 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.910 4.460 0.673 1.00 0.00 H new ATOM 0 HE ARG A 13 8.398 4.118 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.190 4.028 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.277 4.570 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.844 4.817 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.551 4.995 4.203 1.00 0.00 H new ATOM 181 N GLY A 14 11.812 -0.752 1.648 1.00 0.00 N ATOM 182 CA GLY A 14 12.548 -1.835 2.322 1.00 0.00 C ATOM 183 C GLY A 14 11.653 -3.025 2.690 1.00 0.00 C ATOM 184 O GLY A 14 11.782 -3.590 3.777 1.00 0.00 O ATOM 0 H GLY A 14 12.202 -0.497 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.353 -2.179 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.013 -1.443 3.227 1.00 0.00 H new ATOM 188 N ASN A 15 10.730 -3.361 1.780 1.00 0.00 N ATOM 189 CA ASN A 15 9.738 -4.442 1.846 1.00 0.00 C ATOM 190 C ASN A 15 8.489 -4.124 2.720 1.00 0.00 C ATOM 191 O ASN A 15 7.718 -5.031 3.037 1.00 0.00 O ATOM 192 CB ASN A 15 10.390 -5.796 2.220 1.00 0.00 C ATOM 193 CG ASN A 15 11.568 -6.281 1.383 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.191 -5.574 0.599 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.915 -7.539 1.538 1.00 0.00 N ATOM 0 H ASN A 15 10.651 -2.841 0.906 1.00 0.00 H new ATOM 0 HA ASN A 15 9.345 -4.530 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.721 -5.731 3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.615 -6.562 2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.698 -7.921 1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.401 -8.133 2.189 1.00 0.00 H new ATOM 202 N THR A 16 8.253 -2.865 3.117 1.00 0.00 N ATOM 203 CA THR A 16 7.083 -2.469 3.935 1.00 0.00 C ATOM 204 C THR A 16 5.806 -2.411 3.084 1.00 0.00 C ATOM 205 O THR A 16 5.738 -1.599 2.164 1.00 0.00 O ATOM 206 CB THR A 16 7.331 -1.091 4.582 1.00 0.00 C ATOM 207 OG1 THR A 16 8.460 -1.145 5.428 1.00 0.00 O ATOM 208 CG2 THR A 16 6.163 -0.583 5.427 1.00 0.00 C ATOM 0 H THR A 16 8.867 -2.085 2.882 1.00 0.00 H new ATOM 0 HA THR A 16 6.948 -3.221 4.713 1.00 0.00 H new ATOM 0 HB THR A 16 7.474 -0.407 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.266 -0.937 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.415 0.391 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.275 -0.490 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.965 -1.287 6.235 1.00 0.00 H new ATOM 216 N CYS A 17 4.788 -3.233 3.381 1.00 0.00 N ATOM 217 CA CYS A 17 3.518 -3.292 2.644 1.00 0.00 C ATOM 218 C CYS A 17 2.333 -3.017 3.592 1.00 0.00 C ATOM 219 O CYS A 17 2.036 -3.833 4.467 1.00 0.00 O ATOM 220 CB CYS A 17 3.400 -4.670 1.972 1.00 0.00 C ATOM 221 SG CYS A 17 4.778 -4.960 0.822 1.00 0.00 S ATOM 0 H CYS A 17 4.827 -3.891 4.160 1.00 0.00 H new ATOM 0 HA CYS A 17 3.496 -2.522 1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.388 -5.449 2.734 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.454 -4.736 1.434 1.00 0.00 H new ATOM 0 HG CYS A 17 5.897 -4.985 1.483 1.00 0.00 H new ATOM 227 N LEU A 18 1.682 -1.857 3.433 1.00 0.00 N ATOM 228 CA LEU A 18 0.592 -1.343 4.281 1.00 0.00 C ATOM 229 C LEU A 18 -0.731 -1.129 3.533 1.00 0.00 C ATOM 230 O LEU A 18 -0.767 -0.712 2.375 1.00 0.00 O ATOM 231 CB LEU A 18 1.053 -0.016 4.928 1.00 0.00 C ATOM 232 CG LEU A 18 1.762 -0.116 6.291 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.833 -1.198 6.371 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.406 1.231 6.628 1.00 0.00 C ATOM 0 H LEU A 18 1.911 -1.218 2.672 1.00 0.00 H new ATOM 0 HA LEU A 18 0.386 -2.102 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.725 0.486 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.180 0.625 5.046 1.00 0.00 H new ATOM 0 HG LEU A 18 0.987 -0.391 7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.279 -1.196 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.382 -2.171 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.605 -1.001 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.909 1.163 7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.133 1.490 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.636 2.001 6.674 1.00 0.00 H new ATOM 246 N GLU A 19 -1.822 -1.372 4.260 1.00 0.00 N ATOM 247 CA GLU A 19 -3.218 -1.197 3.843 1.00 0.00 C ATOM 248 C GLU A 19 -3.833 0.137 4.305 1.00 0.00 C ATOM 249 O GLU A 19 -4.990 0.407 3.986 1.00 0.00 O ATOM 250 CB GLU A 19 -4.079 -2.355 4.391 1.00 0.00 C ATOM 251 CG GLU A 19 -4.290 -2.404 5.914 1.00 0.00 C ATOM 252 CD GLU A 19 -3.066 -2.931 6.690 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.121 -2.143 6.936 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.052 -4.125 7.072 1.00 0.00 O ATOM 0 H GLU A 19 -1.752 -1.718 5.217 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.211 -1.193 2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.058 -2.305 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.621 -3.294 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.533 -1.403 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.149 -3.038 6.133 1.00 0.00 H new ATOM 261 N ASN A 20 -3.099 0.947 5.078 1.00 0.00 N ATOM 262 CA ASN A 20 -3.563 2.230 5.624 1.00 0.00 C ATOM 263 C ASN A 20 -2.429 3.274 5.717 1.00 0.00 C ATOM 264 O ASN A 20 -1.253 2.918 5.845 1.00 0.00 O ATOM 265 CB ASN A 20 -4.151 2.004 7.037 1.00 0.00 C ATOM 266 CG ASN A 20 -5.566 1.450 7.057 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.463 1.918 6.367 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.834 0.458 7.876 1.00 0.00 N ATOM 0 H ASN A 20 -2.141 0.723 5.348 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.321 2.618 4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.500 1.319 7.581 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.139 2.951 7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.782 0.085 7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.094 0.061 8.455 1.00 0.00 H new ATOM 275 N GLY A 21 -2.800 4.561 5.716 1.00 0.00 N ATOM 276 CA GLY A 21 -1.891 5.707 5.873 1.00 0.00 C ATOM 277 C GLY A 21 -1.680 6.554 4.608 1.00 0.00 C ATOM 278 O GLY A 21 -2.306 6.321 3.574 1.00 0.00 O ATOM 0 H GLY A 21 -3.773 4.844 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.278 6.352 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.922 5.338 6.210 1.00 0.00 H new ATOM 282 N SER A 22 -0.781 7.540 4.726 1.00 0.00 N ATOM 283 CA SER A 22 -0.326 8.479 3.683 1.00 0.00 C ATOM 284 C SER A 22 1.132 8.857 3.979 1.00 0.00 C ATOM 285 O SER A 22 1.428 9.369 5.062 1.00 0.00 O ATOM 286 CB SER A 22 -1.171 9.760 3.665 1.00 0.00 C ATOM 287 OG SER A 22 -2.481 9.514 3.172 1.00 0.00 O ATOM 0 H SER A 22 -0.317 7.718 5.617 1.00 0.00 H new ATOM 0 HA SER A 22 -0.425 7.993 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.232 10.171 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.682 10.511 3.044 1.00 0.00 H new ATOM 0 HG SER A 22 -2.427 9.172 2.255 1.00 0.00 H new ATOM 293 N PHE A 23 2.062 8.562 3.067 1.00 0.00 N ATOM 294 CA PHE A 23 3.506 8.753 3.271 1.00 0.00 C ATOM 295 C PHE A 23 4.016 10.204 3.196 1.00 0.00 C ATOM 296 O PHE A 23 4.609 10.644 2.210 1.00 0.00 O ATOM 297 CB PHE A 23 4.266 7.803 2.341 1.00 0.00 C ATOM 298 CG PHE A 23 5.755 7.633 2.596 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.301 7.729 3.895 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.605 7.336 1.516 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.682 7.565 4.093 1.00 0.00 C ATOM 302 CE2 PHE A 23 7.991 7.201 1.710 1.00 0.00 C ATOM 303 CZ PHE A 23 8.534 7.353 2.997 1.00 0.00 C ATOM 0 H PHE A 23 1.832 8.177 2.151 1.00 0.00 H new ATOM 0 HA PHE A 23 3.708 8.501 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.797 6.821 2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.135 8.154 1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.656 7.929 4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.189 7.210 0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.090 7.602 5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.636 6.981 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.603 7.307 3.143 1.00 0.00 H new ATOM 313 N LEU A 24 3.788 10.964 4.268 1.00 0.00 N ATOM 314 CA LEU A 24 4.146 12.380 4.396 1.00 0.00 C ATOM 315 C LEU A 24 5.610 12.737 4.054 1.00 0.00 C ATOM 316 O LEU A 24 5.878 13.841 3.579 1.00 0.00 O ATOM 317 CB LEU A 24 3.788 12.885 5.806 1.00 0.00 C ATOM 318 CG LEU A 24 2.343 12.632 6.283 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.103 13.368 7.602 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.281 13.085 5.279 1.00 0.00 C ATOM 0 H LEU A 24 3.332 10.598 5.103 1.00 0.00 H new ATOM 0 HA LEU A 24 3.556 12.890 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.469 12.418 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.976 13.958 5.842 1.00 0.00 H new ATOM 0 HG LEU A 24 2.245 11.553 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.082 13.189 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.802 13.003 8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.254 14.437 7.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.289 12.877 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.383 14.155 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.414 12.546 4.341 1.00 0.00 H new ATOM 332 N LEU A 25 6.555 11.812 4.265 1.00 0.00 N ATOM 333 CA LEU A 25 7.978 12.006 3.931 1.00 0.00 C ATOM 334 C LEU A 25 8.252 12.013 2.412 1.00 0.00 C ATOM 335 O LEU A 25 9.260 12.579 1.989 1.00 0.00 O ATOM 336 CB LEU A 25 8.837 10.945 4.642 1.00 0.00 C ATOM 337 CG LEU A 25 8.864 11.042 6.182 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.783 9.960 6.753 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.372 12.395 6.689 1.00 0.00 C ATOM 0 H LEU A 25 6.355 10.900 4.675 1.00 0.00 H new ATOM 0 HA LEU A 25 8.257 12.997 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.470 9.957 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.859 11.021 4.272 1.00 0.00 H new ATOM 0 HG LEU A 25 7.833 10.914 6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.799 10.033 7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.414 8.977 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.792 10.098 6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.367 12.400 7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.388 12.560 6.330 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.723 13.189 6.319 1.00 0.00 H new ATOM 351 N ASN A 26 7.355 11.454 1.589 1.00 0.00 N ATOM 352 CA ASN A 26 7.446 11.499 0.123 1.00 0.00 C ATOM 353 C ASN A 26 6.519 12.593 -0.419 1.00 0.00 C ATOM 354 O ASN A 26 6.854 13.243 -1.405 1.00 0.00 O ATOM 355 CB ASN A 26 7.087 10.128 -0.465 1.00 0.00 C ATOM 356 CG ASN A 26 7.332 10.047 -1.970 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.218 10.672 -2.521 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.582 9.268 -2.702 1.00 0.00 N ATOM 0 H ASN A 26 6.535 10.951 1.927 1.00 0.00 H new ATOM 0 HA ASN A 26 8.468 11.738 -0.173 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.674 9.358 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.038 9.913 -0.260 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.748 9.197 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.831 8.731 -2.270 1.00 0.00 H new ATOM 365 N PHE A 27 5.374 12.830 0.229 1.00 0.00 N ATOM 366 CA PHE A 27 4.466 13.915 -0.157 1.00 0.00 C ATOM 367 C PHE A 27 5.139 15.273 0.082 1.00 0.00 C ATOM 368 O PHE A 27 5.321 15.699 1.224 1.00 0.00 O ATOM 369 CB PHE A 27 3.141 13.838 0.605 1.00 0.00 C ATOM 370 CG PHE A 27 2.114 14.896 0.211 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.660 15.005 -1.121 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.581 15.759 1.189 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.653 15.932 -1.468 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.578 16.685 0.845 1.00 0.00 C ATOM 375 CZ PHE A 27 0.102 16.757 -0.474 1.00 0.00 C ATOM 0 H PHE A 27 5.053 12.282 1.027 1.00 0.00 H new ATOM 0 HA PHE A 27 4.244 13.805 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.704 12.852 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.346 13.930 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.088 14.372 -1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.943 15.710 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.309 16.006 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.173 17.343 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.689 17.448 -0.725 1.00 0.00 H new ATOM 385 N THR A 28 5.490 15.975 -0.991 1.00 0.00 N ATOM 386 CA THR A 28 6.125 17.311 -0.943 1.00 0.00 C ATOM 387 C THR A 28 5.094 18.445 -0.972 1.00 0.00 C ATOM 388 O THR A 28 5.451 19.620 -1.087 1.00 0.00 O ATOM 389 CB THR A 28 7.158 17.478 -2.074 1.00 0.00 C ATOM 390 OG1 THR A 28 6.701 16.970 -3.312 1.00 0.00 O ATOM 391 CG2 THR A 28 8.433 16.717 -1.718 1.00 0.00 C ATOM 0 H THR A 28 5.343 15.635 -1.941 1.00 0.00 H new ATOM 0 HA THR A 28 6.649 17.377 0.011 1.00 0.00 H new ATOM 0 HB THR A 28 7.334 18.549 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.392 17.102 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.163 16.836 -2.519 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.845 17.112 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.202 15.659 -1.591 1.00 0.00 H new ATOM 399 N GLY A 29 3.811 18.093 -0.878 1.00 0.00 N ATOM 400 CA GLY A 29 2.679 19.003 -0.983 1.00 0.00 C ATOM 401 C GLY A 29 2.185 19.045 -2.433 1.00 0.00 C ATOM 402 O GLY A 29 2.973 18.841 -3.361 1.00 0.00 O ATOM 0 H GLY A 29 3.525 17.127 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.875 18.676 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.971 20.002 -0.659 1.00 0.00 H new ATOM 406 N CYS A 30 0.889 19.302 -2.605 1.00 0.00 N ATOM 407 CA CYS A 30 0.193 19.340 -3.883 1.00 0.00 C ATOM 408 C CYS A 30 0.831 20.275 -4.918 1.00 0.00 C ATOM 409 O CYS A 30 1.679 21.125 -4.615 1.00 0.00 O ATOM 410 CB CYS A 30 -1.279 19.729 -3.624 1.00 0.00 C ATOM 411 SG CYS A 30 -2.399 19.257 -5.003 1.00 0.00 S ATOM 0 H CYS A 30 0.270 19.498 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 30 0.263 18.346 -4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.620 19.250 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.342 20.805 -3.464 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.586 19.013 -4.534 1.00 0.00 H new ATOM 416 N ALA A 31 0.337 20.167 -6.139 1.00 0.00 N ATOM 417 CA ALA A 31 0.658 21.067 -7.236 1.00 0.00 C ATOM 418 C ALA A 31 -0.602 21.641 -7.913 1.00 0.00 C ATOM 419 O ALA A 31 -0.481 22.633 -8.642 1.00 0.00 O ATOM 420 CB ALA A 31 1.647 20.436 -8.215 1.00 0.00 C ATOM 0 H ALA A 31 -0.317 19.430 -6.403 1.00 0.00 H new ATOM 0 HA ALA A 31 1.170 21.930 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.861 21.139 -9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.571 20.191 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.215 19.527 -8.633 1.00 0.00 H new ATOM 426 N VAL A 32 -1.805 21.119 -7.631 1.00 0.00 N ATOM 427 CA VAL A 32 -3.057 21.727 -8.101 1.00 0.00 C ATOM 428 C VAL A 32 -3.328 23.006 -7.289 1.00 0.00 C ATOM 429 O VAL A 32 -3.820 23.992 -7.852 1.00 0.00 O ATOM 430 CB VAL A 32 -4.258 20.746 -8.034 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.639 21.408 -8.182 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.195 19.705 -9.160 1.00 0.00 C ATOM 0 H VAL A 32 -1.936 20.273 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.942 21.981 -9.155 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.164 20.309 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.416 20.646 -8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.782 22.135 -7.382 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.699 21.913 -9.146 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.051 19.034 -9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.216 20.211 -10.125 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.274 19.129 -9.072 1.00 0.00 H new ATOM 442 N CYS A 33 -2.975 23.012 -5.997 1.00 0.00 N ATOM 443 CA CYS A 33 -3.167 24.120 -5.056 1.00 0.00 C ATOM 444 C CYS A 33 -1.937 24.516 -4.200 1.00 0.00 C ATOM 445 O CYS A 33 -1.921 25.622 -3.644 1.00 0.00 O ATOM 446 CB CYS A 33 -4.319 23.738 -4.126 1.00 0.00 C ATOM 447 SG CYS A 33 -3.827 22.342 -3.060 1.00 0.00 S ATOM 0 H CYS A 33 -2.527 22.206 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.368 25.001 -5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.600 24.594 -3.512 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.196 23.466 -4.713 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.370 21.373 -3.797 1.00 0.00 H new ATOM 452 N SER A 34 -0.914 23.654 -4.101 1.00 0.00 N ATOM 453 CA SER A 34 0.340 23.857 -3.340 1.00 0.00 C ATOM 454 C SER A 34 0.280 23.568 -1.817 1.00 0.00 C ATOM 455 O SER A 34 1.193 23.974 -1.088 1.00 0.00 O ATOM 456 CB SER A 34 0.972 25.230 -3.649 1.00 0.00 C ATOM 457 OG SER A 34 2.379 25.219 -3.457 1.00 0.00 O ATOM 0 H SER A 34 -0.934 22.749 -4.571 1.00 0.00 H new ATOM 0 HA SER A 34 0.999 23.072 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.748 25.510 -4.678 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.524 25.989 -3.008 1.00 0.00 H new ATOM 0 HG SER A 34 2.589 24.791 -2.601 1.00 0.00 H new ATOM 463 N LYS A 35 -0.745 22.878 -1.289 1.00 0.00 N ATOM 464 CA LYS A 35 -0.864 22.556 0.158 1.00 0.00 C ATOM 465 C LYS A 35 -0.075 21.301 0.566 1.00 0.00 C ATOM 466 O LYS A 35 -0.032 20.325 -0.176 1.00 0.00 O ATOM 467 CB LYS A 35 -2.344 22.356 0.513 1.00 0.00 C ATOM 468 CG LYS A 35 -3.095 23.696 0.634 1.00 0.00 C ATOM 469 CD LYS A 35 -3.635 23.879 2.057 1.00 0.00 C ATOM 470 CE LYS A 35 -4.397 25.198 2.256 1.00 0.00 C ATOM 471 NZ LYS A 35 -3.507 26.389 2.197 1.00 0.00 N ATOM 0 H LYS A 35 -1.521 22.523 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.437 23.396 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.820 21.741 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.421 21.811 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.426 24.519 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.918 23.725 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.296 23.046 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.804 23.838 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.168 25.287 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.906 25.177 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.071 27.251 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.787 26.321 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.040 26.428 1.268 1.00 0.00 H new ATOM 485 N ARG A 36 0.488 21.286 1.784 1.00 0.00 N ATOM 486 CA ARG A 36 1.202 20.136 2.394 1.00 0.00 C ATOM 487 C ARG A 36 0.500 19.701 3.691 1.00 0.00 C ATOM 488 O ARG A 36 -0.291 20.468 4.232 1.00 0.00 O ATOM 489 CB ARG A 36 2.693 20.455 2.575 1.00 0.00 C ATOM 490 CG ARG A 36 3.494 19.169 2.849 1.00 0.00 C ATOM 491 CD ARG A 36 4.982 19.350 2.577 1.00 0.00 C ATOM 492 NE ARG A 36 5.681 18.055 2.716 1.00 0.00 N ATOM 493 CZ ARG A 36 6.787 17.773 3.376 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.504 18.684 3.972 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.191 16.538 3.442 1.00 0.00 N ATOM 0 H ARG A 36 0.462 22.099 2.399 1.00 0.00 H new ATOM 0 HA ARG A 36 1.161 19.280 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.077 20.945 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.823 21.154 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.350 18.867 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.108 18.362 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.131 19.748 1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.402 20.076 3.273 1.00 0.00 H new ATOM 0 HE ARG A 36 5.246 17.269 2.233 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.216 19.662 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.353 18.419 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.654 15.801 2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.045 16.307 3.950 1.00 0.00 H new ATOM 509 N ASP A 37 0.752 18.474 4.166 1.00 0.00 N ATOM 510 CA ASP A 37 0.121 17.840 5.349 1.00 0.00 C ATOM 511 C ASP A 37 -1.426 17.857 5.350 1.00 0.00 C ATOM 512 O ASP A 37 -2.097 17.810 6.382 1.00 0.00 O ATOM 513 CB ASP A 37 0.771 18.296 6.662 1.00 0.00 C ATOM 514 CG ASP A 37 0.598 19.779 7.048 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.412 20.136 7.700 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.532 20.578 6.788 1.00 0.00 O ATOM 0 H ASP A 37 1.433 17.860 3.720 1.00 0.00 H new ATOM 0 HA ASP A 37 0.339 16.775 5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.367 17.686 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.838 18.083 6.604 1.00 0.00 H new ATOM 521 N PHE A 38 -1.975 17.904 4.139 1.00 0.00 N ATOM 522 CA PHE A 38 -3.386 17.980 3.779 1.00 0.00 C ATOM 523 C PHE A 38 -3.794 16.806 2.884 1.00 0.00 C ATOM 524 O PHE A 38 -3.598 16.833 1.671 1.00 0.00 O ATOM 525 CB PHE A 38 -3.687 19.328 3.103 1.00 0.00 C ATOM 526 CG PHE A 38 -4.106 20.457 4.032 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.344 20.822 5.159 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.302 21.147 3.761 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.753 21.894 5.974 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.708 22.224 4.566 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.930 22.602 5.675 1.00 0.00 C ATOM 0 H PHE A 38 -1.386 17.888 3.307 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.979 17.912 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.799 19.644 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.477 19.176 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.443 20.277 5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.915 20.845 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.160 22.174 6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.616 22.761 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.235 23.433 6.294 1.00 0.00 H new ATOM 541 N MET A 39 -4.401 15.785 3.488 1.00 0.00 N ATOM 542 CA MET A 39 -4.919 14.615 2.765 1.00 0.00 C ATOM 543 C MET A 39 -5.984 13.802 3.513 1.00 0.00 C ATOM 544 O MET A 39 -5.988 13.702 4.741 1.00 0.00 O ATOM 545 CB MET A 39 -3.800 13.674 2.272 1.00 0.00 C ATOM 546 CG MET A 39 -2.707 13.368 3.310 1.00 0.00 C ATOM 547 SD MET A 39 -1.053 13.992 2.904 1.00 0.00 S ATOM 548 CE MET A 39 -0.718 13.056 1.386 1.00 0.00 C ATOM 0 H MET A 39 -4.550 15.742 4.496 1.00 0.00 H new ATOM 0 HA MET A 39 -5.419 15.062 1.906 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.250 12.734 1.952 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.332 14.119 1.394 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.011 13.790 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.647 12.288 3.442 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.351 12.855 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.264 12.113 1.412 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.039 13.637 0.522 1.00 0.00 H new ATOM 558 N LEU A 40 -6.854 13.198 2.706 1.00 0.00 N ATOM 559 CA LEU A 40 -7.990 12.319 2.997 1.00 0.00 C ATOM 560 C LEU A 40 -7.852 11.016 2.188 1.00 0.00 C ATOM 561 O LEU A 40 -7.089 10.946 1.221 1.00 0.00 O ATOM 562 CB LEU A 40 -9.293 13.055 2.588 1.00 0.00 C ATOM 563 CG LEU A 40 -10.008 13.934 3.632 1.00 0.00 C ATOM 564 CD1 LEU A 40 -11.031 13.109 4.420 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.102 14.591 4.657 1.00 0.00 C ATOM 0 H LEU A 40 -6.768 13.331 1.698 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.017 12.074 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.060 13.685 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.004 12.302 2.248 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.467 14.722 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.526 13.747 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.773 12.699 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.522 12.293 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.702 15.187 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.566 13.823 5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.385 15.236 4.149 1.00 0.00 H new ATOM 577 N ILE A 41 -8.636 10.001 2.555 1.00 0.00 N ATOM 578 CA ILE A 41 -8.729 8.696 1.889 1.00 0.00 C ATOM 579 C ILE A 41 -10.212 8.447 1.602 1.00 0.00 C ATOM 580 O ILE A 41 -11.061 8.637 2.478 1.00 0.00 O ATOM 581 CB ILE A 41 -8.120 7.586 2.780 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.583 7.750 2.854 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.497 6.171 2.283 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.906 6.857 3.904 1.00 0.00 C ATOM 0 H ILE A 41 -9.254 10.068 3.364 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.163 8.686 0.958 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.539 7.694 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.157 7.528 1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.350 8.792 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.048 5.424 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.581 6.059 2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.128 6.032 1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.830 7.032 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.301 7.093 4.892 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.105 5.810 3.675 1.00 0.00 H new ATOM 596 N THR A 42 -10.526 8.013 0.382 1.00 0.00 N ATOM 597 CA THR A 42 -11.902 7.698 -0.039 1.00 0.00 C ATOM 598 C THR A 42 -11.927 6.533 -1.031 1.00 0.00 C ATOM 599 O THR A 42 -10.877 6.108 -1.518 1.00 0.00 O ATOM 600 CB THR A 42 -12.616 8.948 -0.593 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.997 8.819 -0.329 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.473 9.157 -2.102 1.00 0.00 C ATOM 0 H THR A 42 -9.832 7.867 -0.351 1.00 0.00 H new ATOM 0 HA THR A 42 -12.457 7.377 0.842 1.00 0.00 H new ATOM 0 HB THR A 42 -12.146 9.801 -0.103 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.470 9.605 -0.672 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.008 10.060 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.418 9.261 -2.357 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.891 8.299 -2.629 1.00 0.00 H new ATOM 610 N ASN A 43 -13.121 6.018 -1.338 1.00 0.00 N ATOM 611 CA ASN A 43 -13.401 4.910 -2.273 1.00 0.00 C ATOM 612 C ASN A 43 -12.692 3.572 -1.940 1.00 0.00 C ATOM 613 O ASN A 43 -12.670 2.645 -2.755 1.00 0.00 O ATOM 614 CB ASN A 43 -13.276 5.429 -3.731 1.00 0.00 C ATOM 615 CG ASN A 43 -12.107 4.912 -4.561 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.279 4.320 -5.619 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.894 5.144 -4.128 1.00 0.00 N ATOM 0 H ASN A 43 -13.976 6.382 -0.917 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.436 4.595 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.198 5.182 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.210 6.516 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.090 4.832 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.753 5.637 -3.246 1.00 0.00 H new ATOM 624 N LYS A 44 -12.122 3.477 -0.730 1.00 0.00 N ATOM 625 CA LYS A 44 -11.375 2.336 -0.189 1.00 0.00 C ATOM 626 C LYS A 44 -12.144 1.022 -0.304 1.00 0.00 C ATOM 627 O LYS A 44 -13.144 0.802 0.385 1.00 0.00 O ATOM 628 CB LYS A 44 -10.981 2.641 1.262 1.00 0.00 C ATOM 629 CG LYS A 44 -9.859 1.715 1.770 1.00 0.00 C ATOM 630 CD LYS A 44 -8.794 2.483 2.562 1.00 0.00 C ATOM 631 CE LYS A 44 -7.584 1.614 2.911 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.782 0.793 4.128 1.00 0.00 N ATOM 0 H LYS A 44 -12.175 4.245 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.474 2.198 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.655 3.678 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.856 2.534 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.289 0.937 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.390 1.215 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.464 3.344 1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.237 2.869 3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.363 0.957 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.714 2.255 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.402 -0.162 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.286 1.234 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.798 0.730 4.343 1.00 0.00 H new ATOM 646 N SER A 45 -11.662 0.161 -1.189 1.00 0.00 N ATOM 647 CA SER A 45 -12.215 -1.155 -1.483 1.00 0.00 C ATOM 648 C SER A 45 -11.347 -2.287 -0.935 1.00 0.00 C ATOM 649 O SER A 45 -10.137 -2.142 -0.747 1.00 0.00 O ATOM 650 CB SER A 45 -12.382 -1.303 -3.001 1.00 0.00 C ATOM 651 OG SER A 45 -13.388 -0.424 -3.480 1.00 0.00 O ATOM 0 H SER A 45 -10.835 0.370 -1.749 1.00 0.00 H new ATOM 0 HA SER A 45 -13.183 -1.231 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.437 -1.088 -3.499 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.644 -2.332 -3.245 1.00 0.00 H new ATOM 0 HG SER A 45 -13.145 0.500 -3.263 1.00 0.00 H new ATOM 657 N LEU A 46 -11.981 -3.438 -0.714 1.00 0.00 N ATOM 658 CA LEU A 46 -11.363 -4.669 -0.226 1.00 0.00 C ATOM 659 C LEU A 46 -11.933 -5.879 -0.979 1.00 0.00 C ATOM 660 O LEU A 46 -13.139 -5.957 -1.231 1.00 0.00 O ATOM 661 CB LEU A 46 -11.522 -4.777 1.302 1.00 0.00 C ATOM 662 CG LEU A 46 -11.091 -6.144 1.893 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.470 -5.955 3.278 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.260 -7.122 2.058 1.00 0.00 C ATOM 0 H LEU A 46 -12.982 -3.542 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.292 -4.650 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.934 -3.989 1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.565 -4.595 1.561 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.376 -6.558 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.173 -6.924 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.594 -5.311 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.200 -5.495 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.894 -8.060 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.003 -6.691 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.716 -7.311 1.086 1.00 0.00 H new ATOM 676 N LYS A 47 -11.049 -6.807 -1.345 1.00 0.00 N ATOM 677 CA LYS A 47 -11.332 -8.038 -2.086 1.00 0.00 C ATOM 678 C LYS A 47 -10.689 -9.243 -1.416 1.00 0.00 C ATOM 679 O LYS A 47 -9.609 -9.121 -0.851 1.00 0.00 O ATOM 680 CB LYS A 47 -10.808 -7.922 -3.522 1.00 0.00 C ATOM 681 CG LYS A 47 -11.753 -8.551 -4.545 1.00 0.00 C ATOM 682 CD LYS A 47 -11.086 -8.682 -5.919 1.00 0.00 C ATOM 683 CE LYS A 47 -12.067 -9.295 -6.925 1.00 0.00 C ATOM 684 NZ LYS A 47 -11.370 -9.724 -8.164 1.00 0.00 N ATOM 0 H LYS A 47 -10.058 -6.715 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.413 -8.178 -2.097 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.661 -6.870 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.833 -8.404 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -12.066 -9.535 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.653 -7.943 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.760 -7.702 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.195 -9.306 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.569 -10.150 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.839 -8.567 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.068 -10.072 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.856 -8.916 -8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.697 -10.484 -7.938 1.00 0.00 H new ATOM 698 N GLU A 48 -11.327 -10.404 -1.492 1.00 0.00 N ATOM 699 CA GLU A 48 -10.734 -11.642 -0.965 1.00 0.00 C ATOM 700 C GLU A 48 -10.983 -12.819 -1.926 1.00 0.00 C ATOM 701 O GLU A 48 -12.127 -13.229 -2.142 1.00 0.00 O ATOM 702 CB GLU A 48 -11.336 -11.953 0.418 1.00 0.00 C ATOM 703 CG GLU A 48 -11.105 -10.878 1.488 1.00 0.00 C ATOM 704 CD GLU A 48 -11.713 -11.325 2.832 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.066 -12.108 3.571 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.852 -10.909 3.157 1.00 0.00 O ATOM 0 H GLU A 48 -12.250 -10.522 -1.910 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.657 -11.502 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.409 -12.104 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.918 -12.894 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.037 -10.696 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.555 -9.937 1.172 1.00 0.00 H new ATOM 713 N GLU A 49 -9.909 -13.387 -2.486 1.00 0.00 N ATOM 714 CA GLU A 49 -9.924 -14.587 -3.338 1.00 0.00 C ATOM 715 C GLU A 49 -9.107 -15.752 -2.761 1.00 0.00 C ATOM 716 O GLU A 49 -7.893 -15.644 -2.643 1.00 0.00 O ATOM 717 CB GLU A 49 -9.467 -14.266 -4.769 1.00 0.00 C ATOM 718 CG GLU A 49 -10.449 -13.342 -5.506 1.00 0.00 C ATOM 719 CD GLU A 49 -10.036 -13.100 -6.971 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.932 -14.076 -7.754 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.862 -11.921 -7.366 1.00 0.00 O ATOM 0 H GLU A 49 -8.970 -13.012 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.963 -14.916 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.485 -13.795 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.357 -15.195 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.447 -13.780 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.507 -12.387 -4.984 1.00 0.00 H new ATOM 728 N ASP A 50 -9.721 -16.910 -2.523 1.00 0.00 N ATOM 729 CA ASP A 50 -9.065 -18.182 -2.127 1.00 0.00 C ATOM 730 C ASP A 50 -7.976 -18.139 -1.014 1.00 0.00 C ATOM 731 O ASP A 50 -7.129 -19.030 -0.917 1.00 0.00 O ATOM 732 CB ASP A 50 -8.528 -18.816 -3.428 1.00 0.00 C ATOM 733 CG ASP A 50 -8.252 -20.328 -3.316 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.120 -21.071 -2.793 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.196 -20.793 -3.809 1.00 0.00 O ATOM 0 H ASP A 50 -10.734 -17.005 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.829 -18.779 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.248 -18.646 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.607 -18.308 -3.715 1.00 0.00 H new ATOM 740 N GLY A 51 -7.973 -17.095 -0.182 1.00 0.00 N ATOM 741 CA GLY A 51 -6.997 -16.838 0.896 1.00 0.00 C ATOM 742 C GLY A 51 -6.210 -15.534 0.702 1.00 0.00 C ATOM 743 O GLY A 51 -5.699 -14.971 1.670 1.00 0.00 O ATOM 0 H GLY A 51 -8.684 -16.366 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.522 -16.799 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.298 -17.672 0.950 1.00 0.00 H new ATOM 747 N GLU A 52 -6.145 -15.023 -0.531 1.00 0.00 N ATOM 748 CA GLU A 52 -5.541 -13.735 -0.874 1.00 0.00 C ATOM 749 C GLU A 52 -6.488 -12.610 -0.436 1.00 0.00 C ATOM 750 O GLU A 52 -7.692 -12.676 -0.682 1.00 0.00 O ATOM 751 CB GLU A 52 -5.264 -13.670 -2.393 1.00 0.00 C ATOM 752 CG GLU A 52 -4.710 -12.328 -2.919 1.00 0.00 C ATOM 753 CD GLU A 52 -4.562 -12.280 -4.460 1.00 0.00 C ATOM 754 OE1 GLU A 52 -5.010 -13.207 -5.182 1.00 0.00 O ATOM 755 OE2 GLU A 52 -4.004 -11.282 -4.977 1.00 0.00 O ATOM 0 H GLU A 52 -6.524 -15.511 -1.343 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.589 -13.618 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.556 -14.459 -2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.191 -13.891 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.371 -11.522 -2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.738 -12.142 -2.463 1.00 0.00 H new ATOM 762 N GLU A 53 -5.943 -11.558 0.166 1.00 0.00 N ATOM 763 CA GLU A 53 -6.658 -10.356 0.597 1.00 0.00 C ATOM 764 C GLU A 53 -6.095 -9.153 -0.162 1.00 0.00 C ATOM 765 O GLU A 53 -4.883 -8.956 -0.209 1.00 0.00 O ATOM 766 CB GLU A 53 -6.520 -10.140 2.113 1.00 0.00 C ATOM 767 CG GLU A 53 -7.110 -11.284 2.951 1.00 0.00 C ATOM 768 CD GLU A 53 -7.053 -10.961 4.458 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.747 -10.021 4.915 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.318 -11.653 5.206 1.00 0.00 O ATOM 0 H GLU A 53 -4.946 -11.516 0.377 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.719 -10.474 0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.465 -10.025 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.015 -9.208 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.144 -11.460 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.560 -12.204 2.753 1.00 0.00 H new ATOM 777 N ILE A 54 -6.956 -8.337 -0.766 1.00 0.00 N ATOM 778 CA ILE A 54 -6.559 -7.181 -1.565 1.00 0.00 C ATOM 779 C ILE A 54 -7.228 -5.927 -1.009 1.00 0.00 C ATOM 780 O ILE A 54 -8.404 -5.962 -0.651 1.00 0.00 O ATOM 781 CB ILE A 54 -6.925 -7.389 -3.054 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.366 -8.709 -3.646 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.355 -6.208 -3.846 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.360 -9.879 -3.611 1.00 0.00 C ATOM 0 H ILE A 54 -7.967 -8.463 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.477 -7.062 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.011 -7.450 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.064 -8.533 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.469 -8.991 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.598 -6.327 -4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.789 -5.279 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.272 -6.177 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.894 -10.765 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.644 -10.084 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.248 -9.619 -4.187 1.00 0.00 H new ATOM 796 N VAL A 55 -6.496 -4.814 -0.969 1.00 0.00 N ATOM 797 CA VAL A 55 -6.981 -3.505 -0.522 1.00 0.00 C ATOM 798 C VAL A 55 -6.558 -2.455 -1.540 1.00 0.00 C ATOM 799 O VAL A 55 -5.365 -2.234 -1.755 1.00 0.00 O ATOM 800 CB VAL A 55 -6.398 -3.154 0.859 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.943 -1.816 1.370 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.696 -4.249 1.892 1.00 0.00 C ATOM 0 H VAL A 55 -5.517 -4.796 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.067 -3.532 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.318 -3.074 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.512 -1.597 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.677 -1.024 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.028 -1.874 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.269 -3.967 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.775 -4.369 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.256 -5.190 1.562 1.00 0.00 H new ATOM 812 N THR A 56 -7.525 -1.791 -2.167 1.00 0.00 N ATOM 813 CA THR A 56 -7.273 -0.711 -3.134 1.00 0.00 C ATOM 814 C THR A 56 -7.943 0.597 -2.706 1.00 0.00 C ATOM 815 O THR A 56 -9.102 0.594 -2.290 1.00 0.00 O ATOM 816 CB THR A 56 -7.610 -1.139 -4.571 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.995 -1.360 -4.738 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.894 -2.443 -4.947 1.00 0.00 C ATOM 0 H THR A 56 -8.516 -1.984 -2.021 1.00 0.00 H new ATOM 0 HA THR A 56 -6.202 -0.507 -3.136 1.00 0.00 H new ATOM 0 HB THR A 56 -7.279 -0.322 -5.213 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.174 -1.629 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.153 -2.719 -5.969 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.816 -2.301 -4.872 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.204 -3.237 -4.267 1.00 0.00 H new ATOM 826 N TYR A 57 -7.241 1.728 -2.793 1.00 0.00 N ATOM 827 CA TYR A 57 -7.783 3.047 -2.437 1.00 0.00 C ATOM 828 C TYR A 57 -7.108 4.207 -3.187 1.00 0.00 C ATOM 829 O TYR A 57 -6.274 4.007 -4.074 1.00 0.00 O ATOM 830 CB TYR A 57 -7.762 3.250 -0.913 1.00 0.00 C ATOM 831 CG TYR A 57 -6.431 3.326 -0.186 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.810 2.142 0.257 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.904 4.576 0.201 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.709 2.206 1.133 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.793 4.644 1.062 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.206 3.457 1.554 1.00 0.00 C ATOM 837 OH TYR A 57 -3.197 3.518 2.465 1.00 0.00 O ATOM 0 H TYR A 57 -6.273 1.758 -3.114 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.822 3.061 -2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.304 4.171 -0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.331 2.434 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.179 1.183 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.356 5.486 -0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.247 1.295 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.389 5.604 1.347 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.031 4.453 2.707 1.00 0.00 H new ATOM 847 N ASP A 58 -7.439 5.436 -2.791 1.00 0.00 N ATOM 848 CA ASP A 58 -6.932 6.668 -3.383 1.00 0.00 C ATOM 849 C ASP A 58 -6.697 7.695 -2.256 1.00 0.00 C ATOM 850 O ASP A 58 -7.331 7.631 -1.196 1.00 0.00 O ATOM 851 CB ASP A 58 -8.026 7.255 -4.317 1.00 0.00 C ATOM 852 CG ASP A 58 -8.301 6.507 -5.639 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.566 5.283 -5.636 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.345 7.177 -6.698 1.00 0.00 O ATOM 0 H ASP A 58 -8.089 5.604 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.012 6.465 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.959 7.303 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.748 8.280 -4.561 1.00 0.00 H new ATOM 859 N HIS A 59 -5.842 8.683 -2.518 1.00 0.00 N ATOM 860 CA HIS A 59 -5.526 9.790 -1.605 1.00 0.00 C ATOM 861 C HIS A 59 -6.051 11.088 -2.233 1.00 0.00 C ATOM 862 O HIS A 59 -5.946 11.269 -3.445 1.00 0.00 O ATOM 863 CB HIS A 59 -4.014 9.897 -1.346 1.00 0.00 C ATOM 864 CG HIS A 59 -3.326 8.642 -0.846 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.951 8.374 0.455 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.743 7.673 -1.627 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.151 7.292 0.447 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.992 6.827 -0.801 1.00 0.00 N ATOM 0 H HIS A 59 -5.332 8.740 -3.399 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.002 9.609 -0.641 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.530 10.206 -2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.847 10.691 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.847 7.580 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.698 6.857 1.326 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.437 6.021 -1.090 1.00 0.00 H new ATOM 876 N LEU A 60 -6.616 11.994 -1.436 1.00 0.00 N ATOM 877 CA LEU A 60 -7.240 13.239 -1.898 1.00 0.00 C ATOM 878 C LEU A 60 -6.764 14.428 -1.075 1.00 0.00 C ATOM 879 O LEU A 60 -6.765 14.357 0.151 1.00 0.00 O ATOM 880 CB LEU A 60 -8.779 13.174 -1.784 1.00 0.00 C ATOM 881 CG LEU A 60 -9.489 12.287 -2.819 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.530 10.817 -2.411 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.947 12.724 -2.964 1.00 0.00 C ATOM 0 H LEU A 60 -6.655 11.882 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.950 13.362 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.036 12.814 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.174 14.186 -1.869 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.922 12.397 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.043 10.240 -3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.513 10.443 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.063 10.716 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.445 12.092 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.452 12.630 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.985 13.762 -3.294 1.00 0.00 H new ATOM 895 N CYS A 61 -6.408 15.522 -1.739 1.00 0.00 N ATOM 896 CA CYS A 61 -5.979 16.765 -1.110 1.00 0.00 C ATOM 897 C CYS A 61 -7.086 17.323 -0.196 1.00 0.00 C ATOM 898 O CYS A 61 -8.210 17.563 -0.636 1.00 0.00 O ATOM 899 CB CYS A 61 -5.601 17.712 -2.262 1.00 0.00 C ATOM 900 SG CYS A 61 -4.602 19.131 -1.720 1.00 0.00 S ATOM 0 H CYS A 61 -6.410 15.570 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.120 16.625 -0.453 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.048 17.153 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.511 18.077 -2.738 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.764 20.118 -2.550 1.00 0.00 H new ATOM 905 N LYS A 62 -6.809 17.547 1.093 1.00 0.00 N ATOM 906 CA LYS A 62 -7.799 18.117 2.034 1.00 0.00 C ATOM 907 C LYS A 62 -8.225 19.547 1.620 1.00 0.00 C ATOM 908 O LYS A 62 -9.233 20.051 2.117 1.00 0.00 O ATOM 909 CB LYS A 62 -7.216 18.035 3.464 1.00 0.00 C ATOM 910 CG LYS A 62 -7.879 18.858 4.582 1.00 0.00 C ATOM 911 CD LYS A 62 -9.307 18.417 4.908 1.00 0.00 C ATOM 912 CE LYS A 62 -9.919 19.375 5.939 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.293 18.965 6.332 1.00 0.00 N ATOM 0 H LYS A 62 -5.904 17.343 1.517 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.721 17.536 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.235 16.989 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.169 18.333 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.271 18.785 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.891 19.908 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.912 18.408 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.304 17.400 5.299 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.284 19.409 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.945 20.383 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.670 19.638 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.906 18.957 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.265 18.013 6.750 1.00 0.00 H new ATOM 927 N ASN A 63 -7.502 20.189 0.697 1.00 0.00 N ATOM 928 CA ASN A 63 -7.788 21.534 0.215 1.00 0.00 C ATOM 929 C ASN A 63 -8.630 21.509 -1.073 1.00 0.00 C ATOM 930 O ASN A 63 -9.799 21.909 -1.039 1.00 0.00 O ATOM 931 CB ASN A 63 -6.466 22.283 0.026 1.00 0.00 C ATOM 932 CG ASN A 63 -6.704 23.678 -0.519 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.400 24.490 0.078 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.141 24.014 -1.650 1.00 0.00 N ATOM 0 H ASN A 63 -6.682 19.773 0.256 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.390 22.063 0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.940 22.346 0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.823 21.727 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.282 24.949 -2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.561 23.341 -2.151 1.00 0.00 H new ATOM 941 N CYS A 64 -8.065 21.041 -2.190 1.00 0.00 N ATOM 942 CA CYS A 64 -8.729 21.003 -3.496 1.00 0.00 C ATOM 943 C CYS A 64 -9.468 19.681 -3.814 1.00 0.00 C ATOM 944 O CYS A 64 -10.173 19.599 -4.828 1.00 0.00 O ATOM 945 CB CYS A 64 -7.709 21.399 -4.587 1.00 0.00 C ATOM 946 SG CYS A 64 -6.201 20.364 -4.641 1.00 0.00 S ATOM 0 H CYS A 64 -7.115 20.671 -2.212 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.539 21.732 -3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.201 21.351 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.415 22.437 -4.430 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.190 21.046 -4.189 1.00 0.00 H new ATOM 951 N HIS A 65 -9.345 18.653 -2.961 1.00 0.00 N ATOM 952 CA HIS A 65 -9.936 17.304 -3.121 1.00 0.00 C ATOM 953 C HIS A 65 -9.614 16.605 -4.448 1.00 0.00 C ATOM 954 O HIS A 65 -10.262 15.632 -4.837 1.00 0.00 O ATOM 955 CB HIS A 65 -11.408 17.272 -2.687 1.00 0.00 C ATOM 956 CG HIS A 65 -11.566 17.601 -1.221 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.879 18.842 -0.692 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.349 16.742 -0.174 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.869 18.737 0.652 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.561 17.466 0.987 1.00 0.00 N ATOM 0 H HIS A 65 -8.807 18.737 -2.099 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.415 16.658 -2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.979 17.984 -3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.824 16.284 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.067 15.702 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.074 19.538 1.347 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.495 17.100 1.937 1.00 0.00 H new ATOM 969 N HIS A 66 -8.551 17.054 -5.103 1.00 0.00 N ATOM 970 CA HIS A 66 -7.951 16.409 -6.262 1.00 0.00 C ATOM 971 C HIS A 66 -7.317 15.089 -5.783 1.00 0.00 C ATOM 972 O HIS A 66 -6.813 15.018 -4.657 1.00 0.00 O ATOM 973 CB HIS A 66 -6.905 17.363 -6.824 1.00 0.00 C ATOM 974 CG HIS A 66 -5.586 16.747 -7.165 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.223 16.188 -8.369 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.456 16.926 -6.418 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.881 16.142 -8.390 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.380 16.625 -7.239 1.00 0.00 N ATOM 0 H HIS A 66 -8.066 17.909 -4.831 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.677 16.184 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.310 17.830 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.737 18.159 -6.098 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.853 15.869 -9.105 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.410 17.241 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.289 15.770 -9.213 1.00 0.00 H new ATOM 986 N VAL A 67 -7.315 14.046 -6.617 1.00 0.00 N ATOM 987 CA VAL A 67 -6.693 12.765 -6.264 1.00 0.00 C ATOM 988 C VAL A 67 -5.168 12.880 -6.367 1.00 0.00 C ATOM 989 O VAL A 67 -4.604 12.881 -7.464 1.00 0.00 O ATOM 990 CB VAL A 67 -7.243 11.612 -7.120 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.573 10.292 -6.739 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.755 11.438 -6.914 1.00 0.00 C ATOM 0 H VAL A 67 -7.738 14.063 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.948 12.528 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.034 11.863 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.976 9.488 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.498 10.370 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.767 10.075 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.114 10.615 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.956 11.218 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.269 12.356 -7.198 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.512 12.962 -5.207 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.053 13.068 -5.056 1.00 0.00 C ATOM 1004 C ILE A 68 -2.343 11.841 -5.648 1.00 0.00 C ATOM 1005 O ILE A 68 -1.342 11.966 -6.359 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.713 13.243 -3.556 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.112 14.682 -3.168 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.231 12.955 -3.222 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.988 14.986 -1.678 1.00 0.00 C ATOM 0 H ILE A 68 -4.999 12.956 -4.311 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.697 13.938 -5.608 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.270 12.508 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.488 15.382 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.142 14.858 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.064 13.097 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.990 11.927 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.592 13.637 -3.783 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.287 16.017 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.634 14.313 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.954 14.846 -1.363 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.858 10.646 -5.336 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.275 9.365 -5.729 1.00 0.00 C ATOM 1023 C ALA A 69 -3.269 8.193 -5.587 1.00 0.00 C ATOM 1024 O ALA A 69 -4.311 8.321 -4.936 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.054 9.152 -4.816 1.00 0.00 C ATOM 0 H ALA A 69 -3.713 10.544 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.999 9.388 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.575 8.205 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.345 9.967 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.377 9.133 -3.775 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.912 7.030 -6.149 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.645 5.757 -6.041 1.00 0.00 C ATOM 1033 C ARG A 70 -2.770 4.736 -5.318 1.00 0.00 C ATOM 1034 O ARG A 70 -1.573 4.664 -5.593 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.017 5.191 -7.420 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.364 5.677 -7.953 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.323 7.078 -8.569 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.691 7.503 -8.900 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.148 8.101 -9.980 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.388 8.410 -10.993 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.410 8.408 -10.043 1.00 0.00 N ATOM 0 H ARG A 70 -2.068 6.945 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.565 5.949 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.238 5.460 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.033 4.103 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.722 4.972 -8.703 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.089 5.671 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.870 7.782 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.704 7.076 -9.466 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.391 7.305 -8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.393 8.188 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.789 8.873 -11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.029 8.185 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.781 8.872 -10.872 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.399 3.943 -4.451 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.774 2.930 -3.594 1.00 0.00 C ATOM 1057 C HIS A 71 -3.359 1.536 -3.806 1.00 0.00 C ATOM 1058 O HIS A 71 -4.575 1.355 -3.905 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.035 3.314 -2.129 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.120 2.658 -1.113 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.139 3.359 -0.411 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.087 1.339 -0.721 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.535 2.461 0.382 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.098 1.248 0.237 1.00 0.00 N ATOM 0 H HIS A 71 -4.409 3.990 -4.319 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.713 2.900 -3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.942 4.396 -2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.066 3.060 -1.882 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.710 0.537 -1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.289 2.681 1.045 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.838 0.404 0.748 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.498 0.529 -3.808 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.871 -0.875 -3.880 1.00 0.00 C ATOM 1074 C GLU A 72 -1.963 -1.677 -2.942 1.00 0.00 C ATOM 1075 O GLU A 72 -0.741 -1.544 -2.965 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.771 -1.365 -5.336 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.836 -2.894 -5.443 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.035 -3.339 -6.905 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.199 -3.428 -7.362 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.028 -3.604 -7.606 1.00 0.00 O ATOM 0 H GLU A 72 -1.489 0.672 -3.758 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.903 -1.015 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.581 -0.928 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.836 -1.012 -5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.917 -3.329 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.655 -3.270 -4.830 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.563 -2.543 -2.135 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.880 -3.490 -1.263 1.00 0.00 C ATOM 1089 C TYR A 73 -2.541 -4.846 -1.490 1.00 0.00 C ATOM 1090 O TYR A 73 -3.761 -4.970 -1.394 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.961 -3.055 0.205 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.750 -4.180 1.210 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.504 -4.829 1.344 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.837 -4.616 1.989 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.342 -5.881 2.266 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.678 -5.655 2.922 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.421 -6.275 3.083 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.250 -7.243 4.024 1.00 0.00 O ATOM 0 H TYR A 73 -3.579 -2.607 -2.067 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.817 -3.540 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.214 -2.281 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.937 -2.604 0.384 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.331 -4.517 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.803 -4.148 1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.609 -6.386 2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.519 -5.979 3.517 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.495 -7.815 3.772 1.00 0.00 H new ATOM 1108 N THR A 74 -1.754 -5.865 -1.808 1.00 0.00 N ATOM 1109 CA THR A 74 -2.263 -7.220 -2.048 1.00 0.00 C ATOM 1110 C THR A 74 -1.457 -8.202 -1.193 1.00 0.00 C ATOM 1111 O THR A 74 -0.232 -8.109 -1.081 1.00 0.00 O ATOM 1112 CB THR A 74 -2.259 -7.612 -3.544 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.067 -8.231 -3.972 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.478 -6.437 -4.513 1.00 0.00 C ATOM 0 H THR A 74 -0.742 -5.781 -1.908 1.00 0.00 H new ATOM 0 HA THR A 74 -3.312 -7.254 -1.754 1.00 0.00 H new ATOM 0 HB THR A 74 -3.099 -8.305 -3.585 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.318 -7.609 -3.862 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.460 -6.804 -5.539 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.443 -5.973 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.686 -5.701 -4.377 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.144 -9.136 -0.549 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.543 -10.139 0.332 1.00 0.00 C ATOM 1124 C PHE A 75 -2.019 -11.546 -0.067 1.00 0.00 C ATOM 1125 O PHE A 75 -3.218 -11.768 -0.145 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.909 -9.814 1.783 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.688 -10.982 2.712 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.381 -11.290 3.105 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.752 -11.826 3.089 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.129 -12.421 3.882 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.495 -12.982 3.846 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.178 -13.284 4.236 1.00 0.00 C ATOM 0 H PHE A 75 -3.158 -9.223 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.458 -10.119 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.314 -8.966 2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.954 -9.509 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.436 -10.650 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.763 -11.585 2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.877 -12.633 4.212 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.307 -13.637 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.974 -14.178 4.807 1.00 0.00 H new ATOM 1142 N SER A 76 -1.115 -12.501 -0.290 1.00 0.00 N ATOM 1143 CA SER A 76 -1.388 -13.881 -0.749 1.00 0.00 C ATOM 1144 C SER A 76 -0.734 -14.955 0.120 1.00 0.00 C ATOM 1145 O SER A 76 0.389 -14.786 0.569 1.00 0.00 O ATOM 1146 CB SER A 76 -0.868 -14.078 -2.182 1.00 0.00 C ATOM 1147 OG SER A 76 -1.847 -13.760 -3.150 1.00 0.00 O ATOM 0 H SER A 76 -0.119 -12.333 -0.151 1.00 0.00 H new ATOM 0 HA SER A 76 -2.470 -13.997 -0.688 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.011 -13.453 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.551 -15.113 -2.313 1.00 0.00 H new ATOM 0 HG SER A 76 -1.477 -13.897 -4.047 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.401 -16.088 0.342 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.814 -17.236 1.073 1.00 0.00 C ATOM 1155 C ILE A 77 -0.554 -18.397 0.103 1.00 0.00 C ATOM 1156 O ILE A 77 -1.484 -18.882 -0.546 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.689 -17.668 2.270 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.941 -16.447 3.178 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.018 -18.848 3.005 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.388 -16.752 4.611 1.00 0.00 C ATOM 0 H ILE A 77 -2.358 -16.246 0.027 1.00 0.00 H new ATOM 0 HA ILE A 77 0.141 -16.921 1.494 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.662 -18.025 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.025 -15.858 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.700 -15.821 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.638 -19.151 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.905 -19.687 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.037 -18.541 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.534 -15.818 5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.325 -17.309 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.624 -17.347 5.112 1.00 0.00 H new ATOM 1172 N MET A 78 0.706 -18.844 0.013 1.00 0.00 N ATOM 1173 CA MET A 78 1.139 -19.973 -0.823 1.00 0.00 C ATOM 1174 C MET A 78 1.767 -21.135 -0.037 1.00 0.00 C ATOM 1175 O MET A 78 2.855 -20.982 0.510 1.00 0.00 O ATOM 1176 CB MET A 78 2.060 -19.498 -1.963 1.00 0.00 C ATOM 1177 CG MET A 78 3.224 -18.588 -1.529 1.00 0.00 C ATOM 1178 SD MET A 78 4.639 -18.500 -2.670 1.00 0.00 S ATOM 1179 CE MET A 78 3.813 -18.302 -4.270 1.00 0.00 C ATOM 0 H MET A 78 1.473 -18.419 0.534 1.00 0.00 H new ATOM 0 HA MET A 78 0.228 -20.383 -1.258 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.472 -20.374 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.457 -18.964 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.836 -17.580 -1.385 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.585 -18.932 -0.560 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.556 -18.093 -5.040 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.279 -19.219 -4.520 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.106 -17.474 -4.214 1.00 0.00 H new ATOM 1189 N ASP A 79 1.128 -22.309 -0.053 1.00 0.00 N ATOM 1190 CA ASP A 79 1.554 -23.599 0.538 1.00 0.00 C ATOM 1191 C ASP A 79 1.982 -23.593 2.028 1.00 0.00 C ATOM 1192 O ASP A 79 1.271 -24.128 2.881 1.00 0.00 O ATOM 1193 CB ASP A 79 2.652 -24.192 -0.362 1.00 0.00 C ATOM 1194 CG ASP A 79 2.975 -25.669 -0.065 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.071 -26.433 0.351 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.133 -26.088 -0.304 1.00 0.00 O ATOM 0 H ASP A 79 0.224 -22.398 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 79 0.660 -24.222 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.343 -24.100 -1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.561 -23.601 -0.246 1.00 0.00 H new ATOM 1201 N GLU A 80 3.119 -22.973 2.354 1.00 0.00 N ATOM 1202 CA GLU A 80 3.692 -22.829 3.702 1.00 0.00 C ATOM 1203 C GLU A 80 4.190 -21.403 3.970 1.00 0.00 C ATOM 1204 O GLU A 80 4.841 -21.169 4.987 1.00 0.00 O ATOM 1205 CB GLU A 80 4.897 -23.765 3.918 1.00 0.00 C ATOM 1206 CG GLU A 80 4.716 -25.195 3.414 1.00 0.00 C ATOM 1207 CD GLU A 80 5.847 -26.114 3.919 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.971 -26.075 3.360 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.619 -26.896 4.875 1.00 0.00 O ATOM 0 H GLU A 80 3.702 -22.530 1.644 1.00 0.00 H new ATOM 0 HA GLU A 80 2.880 -23.083 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.766 -23.331 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.122 -23.800 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.753 -25.582 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.700 -25.200 2.324 1.00 0.00 H new ATOM 1216 N PHE A 81 3.958 -20.446 3.069 1.00 0.00 N ATOM 1217 CA PHE A 81 4.500 -19.095 3.225 1.00 0.00 C ATOM 1218 C PHE A 81 3.396 -18.057 2.981 1.00 0.00 C ATOM 1219 O PHE A 81 2.312 -18.358 2.474 1.00 0.00 O ATOM 1220 CB PHE A 81 5.606 -18.829 2.178 1.00 0.00 C ATOM 1221 CG PHE A 81 6.419 -20.012 1.685 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.112 -20.880 2.547 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.401 -20.279 0.306 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.818 -21.979 2.021 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.088 -21.380 -0.224 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.809 -22.228 0.635 1.00 0.00 C ATOM 0 H PHE A 81 3.400 -20.581 2.226 1.00 0.00 H new ATOM 0 HA PHE A 81 4.901 -19.015 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.140 -18.360 1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.298 -18.101 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.103 -20.704 3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.850 -19.627 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.368 -22.633 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.064 -21.576 -1.286 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.355 -23.069 0.233 1.00 0.00 H new ATOM 1236 N GLN A 82 3.717 -16.803 3.271 1.00 0.00 N ATOM 1237 CA GLN A 82 2.860 -15.646 3.049 1.00 0.00 C ATOM 1238 C GLN A 82 3.589 -14.645 2.165 1.00 0.00 C ATOM 1239 O GLN A 82 4.786 -14.447 2.328 1.00 0.00 O ATOM 1240 CB GLN A 82 2.499 -14.970 4.372 1.00 0.00 C ATOM 1241 CG GLN A 82 2.353 -15.857 5.603 1.00 0.00 C ATOM 1242 CD GLN A 82 1.822 -15.051 6.777 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.657 -15.114 7.149 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.662 -14.260 7.404 1.00 0.00 N ATOM 0 H GLN A 82 4.616 -16.554 3.683 1.00 0.00 H new ATOM 0 HA GLN A 82 1.942 -15.984 2.567 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.262 -14.222 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.560 -14.435 4.230 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.676 -16.683 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.318 -16.294 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.634 -14.203 7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.343 -13.702 8.196 1.00 0.00 H new ATOM 1253 N GLU A 83 2.865 -13.977 1.283 1.00 0.00 N ATOM 1254 CA GLU A 83 3.348 -12.988 0.321 1.00 0.00 C ATOM 1255 C GLU A 83 2.641 -11.662 0.557 1.00 0.00 C ATOM 1256 O GLU A 83 1.415 -11.593 0.600 1.00 0.00 O ATOM 1257 CB GLU A 83 3.035 -13.421 -1.128 1.00 0.00 C ATOM 1258 CG GLU A 83 4.098 -14.313 -1.764 1.00 0.00 C ATOM 1259 CD GLU A 83 3.772 -14.606 -3.245 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.616 -14.973 -3.566 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.675 -14.460 -4.106 1.00 0.00 O ATOM 0 H GLU A 83 1.857 -14.117 1.211 1.00 0.00 H new ATOM 0 HA GLU A 83 4.426 -12.896 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.082 -13.949 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.912 -12.529 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.072 -13.829 -1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.167 -15.250 -1.212 1.00 0.00 H new ATOM 1268 N TYR A 84 3.424 -10.600 0.653 1.00 0.00 N ATOM 1269 CA TYR A 84 2.956 -9.235 0.853 1.00 0.00 C ATOM 1270 C TYR A 84 3.448 -8.364 -0.286 1.00 0.00 C ATOM 1271 O TYR A 84 4.643 -8.361 -0.571 1.00 0.00 O ATOM 1272 CB TYR A 84 3.542 -8.682 2.150 1.00 0.00 C ATOM 1273 CG TYR A 84 3.009 -9.358 3.398 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.610 -10.539 3.883 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.865 -8.836 4.029 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.078 -11.193 5.014 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.358 -9.457 5.185 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.970 -10.631 5.689 1.00 0.00 C ATOM 1279 OH TYR A 84 1.467 -11.250 6.792 1.00 0.00 O ATOM 0 H TYR A 84 4.440 -10.665 0.592 1.00 0.00 H new ATOM 0 HA TYR A 84 1.867 -9.235 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.626 -8.791 2.124 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.330 -7.614 2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.480 -10.943 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.377 -7.960 3.627 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.514 -12.117 5.362 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.500 -9.038 5.689 1.00 0.00 H new ATOM 0 HH TYR A 84 0.708 -10.736 7.138 1.00 0.00 H new ATOM 1289 N THR A 85 2.564 -7.604 -0.922 1.00 0.00 N ATOM 1290 CA THR A 85 2.941 -6.694 -2.006 1.00 0.00 C ATOM 1291 C THR A 85 2.160 -5.385 -1.875 1.00 0.00 C ATOM 1292 O THR A 85 0.988 -5.358 -1.506 1.00 0.00 O ATOM 1293 CB THR A 85 2.770 -7.313 -3.416 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.489 -7.076 -3.954 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.950 -8.838 -3.474 1.00 0.00 C ATOM 0 H THR A 85 1.568 -7.598 -0.704 1.00 0.00 H new ATOM 0 HA THR A 85 4.007 -6.493 -1.904 1.00 0.00 H new ATOM 0 HB THR A 85 3.559 -6.821 -3.984 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.427 -7.483 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.812 -9.182 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.953 -9.099 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.213 -9.316 -2.829 1.00 0.00 H new ATOM 1303 N MET A 86 2.813 -4.270 -2.159 1.00 0.00 N ATOM 1304 CA MET A 86 2.253 -2.922 -2.133 1.00 0.00 C ATOM 1305 C MET A 86 2.750 -2.143 -3.349 1.00 0.00 C ATOM 1306 O MET A 86 3.879 -2.325 -3.808 1.00 0.00 O ATOM 1307 CB MET A 86 2.634 -2.246 -0.812 1.00 0.00 C ATOM 1308 CG MET A 86 2.178 -0.789 -0.719 1.00 0.00 C ATOM 1309 SD MET A 86 2.671 0.056 0.806 1.00 0.00 S ATOM 1310 CE MET A 86 4.367 0.529 0.360 1.00 0.00 C ATOM 0 H MET A 86 3.797 -4.277 -2.428 1.00 0.00 H new ATOM 0 HA MET A 86 1.165 -2.954 -2.188 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.198 -2.808 0.014 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.716 -2.288 -0.690 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.581 -0.240 -1.570 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.092 -0.755 -0.803 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.885 0.903 1.243 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.896 -0.340 -0.030 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.339 1.309 -0.401 1.00 0.00 H new ATOM 1320 N LEU A 87 1.879 -1.284 -3.863 1.00 0.00 N ATOM 1321 CA LEU A 87 2.095 -0.428 -5.027 1.00 0.00 C ATOM 1322 C LEU A 87 1.244 0.856 -4.915 1.00 0.00 C ATOM 1323 O LEU A 87 0.030 0.838 -5.126 1.00 0.00 O ATOM 1324 CB LEU A 87 1.700 -1.229 -6.283 1.00 0.00 C ATOM 1325 CG LEU A 87 2.071 -0.526 -7.588 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.499 -0.864 -7.987 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.140 -0.913 -8.733 1.00 0.00 C ATOM 0 H LEU A 87 0.951 -1.157 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 87 3.141 -0.128 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.187 -2.204 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.625 -1.409 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 87 1.973 0.544 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.747 -0.355 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.183 -0.539 -7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.593 -1.941 -8.126 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.442 -0.389 -9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.196 -1.989 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.116 -0.638 -8.479 1.00 0.00 H new ATOM 1339 N CYS A 88 1.889 1.973 -4.601 1.00 0.00 N ATOM 1340 CA CYS A 88 1.299 3.301 -4.473 1.00 0.00 C ATOM 1341 C CYS A 88 2.265 4.364 -5.020 1.00 0.00 C ATOM 1342 O CYS A 88 3.468 4.323 -4.738 1.00 0.00 O ATOM 1343 CB CYS A 88 0.999 3.578 -2.997 1.00 0.00 C ATOM 1344 SG CYS A 88 0.385 5.283 -2.759 1.00 0.00 S ATOM 0 H CYS A 88 2.893 1.977 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 88 0.374 3.343 -5.048 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.257 2.867 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.902 3.427 -2.405 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.433 5.588 -3.722 1.00 0.00 H new ATOM 1349 N LEU A 89 1.734 5.327 -5.778 1.00 0.00 N ATOM 1350 CA LEU A 89 2.489 6.458 -6.325 1.00 0.00 C ATOM 1351 C LEU A 89 3.143 7.299 -5.215 1.00 0.00 C ATOM 1352 O LEU A 89 4.255 7.797 -5.409 1.00 0.00 O ATOM 1353 CB LEU A 89 1.543 7.293 -7.216 1.00 0.00 C ATOM 1354 CG LEU A 89 2.085 8.661 -7.675 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.309 8.541 -8.566 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.065 9.449 -8.495 1.00 0.00 C ATOM 0 H LEU A 89 0.747 5.343 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 89 3.314 6.087 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.296 6.706 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.613 7.456 -6.672 1.00 0.00 H new ATOM 0 HG LEU A 89 2.326 9.170 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.646 9.536 -8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.106 8.033 -8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.055 7.968 -9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.497 10.404 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.795 8.880 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.173 9.626 -7.893 1.00 0.00 H new ATOM 1368 N LEU A 90 2.486 7.422 -4.061 1.00 0.00 N ATOM 1369 CA LEU A 90 2.963 8.165 -2.901 1.00 0.00 C ATOM 1370 C LEU A 90 3.649 7.241 -1.897 1.00 0.00 C ATOM 1371 O LEU A 90 4.832 7.426 -1.603 1.00 0.00 O ATOM 1372 CB LEU A 90 1.754 8.848 -2.229 1.00 0.00 C ATOM 1373 CG LEU A 90 2.059 9.441 -0.838 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.165 10.487 -0.903 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.810 10.080 -0.238 1.00 0.00 C ATOM 0 H LEU A 90 1.575 6.990 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 90 3.692 8.906 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.392 9.644 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.947 8.122 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 90 2.391 8.616 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.352 10.882 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.076 10.030 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.859 11.299 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.047 10.492 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.460 10.879 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.029 9.326 -0.136 1.00 0.00 H new ATOM 1387 N CYS A 91 2.906 6.298 -1.335 1.00 0.00 N ATOM 1388 CA CYS A 91 3.366 5.439 -0.265 1.00 0.00 C ATOM 1389 C CYS A 91 4.517 4.514 -0.680 1.00 0.00 C ATOM 1390 O CYS A 91 5.449 4.320 0.104 1.00 0.00 O ATOM 1391 CB CYS A 91 2.167 4.692 0.323 1.00 0.00 C ATOM 1392 SG CYS A 91 0.929 5.874 0.942 1.00 0.00 S ATOM 0 H CYS A 91 1.945 6.109 -1.620 1.00 0.00 H new ATOM 0 HA CYS A 91 3.804 6.060 0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.720 4.052 -0.437 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.497 4.042 1.134 1.00 0.00 H new ATOM 0 HG CYS A 91 -0.083 5.224 1.436 1.00 0.00 H new ATOM 1397 N GLY A 92 4.488 3.995 -1.910 1.00 0.00 N ATOM 1398 CA GLY A 92 5.591 3.226 -2.482 1.00 0.00 C ATOM 1399 C GLY A 92 5.267 1.862 -3.080 1.00 0.00 C ATOM 1400 O GLY A 92 4.155 1.348 -2.969 1.00 0.00 O ATOM 0 H GLY A 92 3.692 4.098 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.055 3.832 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.339 3.082 -1.703 1.00 0.00 H new ATOM 1404 N LYS A 93 6.291 1.248 -3.684 1.00 0.00 N ATOM 1405 CA LYS A 93 6.254 -0.110 -4.237 1.00 0.00 C ATOM 1406 C LYS A 93 7.179 -1.027 -3.441 1.00 0.00 C ATOM 1407 O LYS A 93 8.390 -0.810 -3.397 1.00 0.00 O ATOM 1408 CB LYS A 93 6.596 -0.088 -5.727 1.00 0.00 C ATOM 1409 CG LYS A 93 6.786 -1.501 -6.311 1.00 0.00 C ATOM 1410 CD LYS A 93 7.159 -1.439 -7.799 1.00 0.00 C ATOM 1411 CE LYS A 93 7.272 -2.856 -8.375 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.637 -2.835 -9.816 1.00 0.00 N ATOM 0 H LYS A 93 7.198 1.698 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 93 5.244 -0.511 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.801 0.422 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.508 0.490 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.567 -2.024 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.868 -2.076 -6.187 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.405 -0.874 -8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.105 -0.911 -7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.022 -3.417 -7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.324 -3.378 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.704 -3.810 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.908 -2.321 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.554 -2.359 -9.935 1.00 0.00 H new ATOM 1426 N ALA A 94 6.606 -2.043 -2.810 1.00 0.00 N ATOM 1427 CA ALA A 94 7.322 -3.000 -1.978 1.00 0.00 C ATOM 1428 C ALA A 94 6.781 -4.437 -2.080 1.00 0.00 C ATOM 1429 O ALA A 94 5.622 -4.651 -2.435 1.00 0.00 O ATOM 1430 CB ALA A 94 7.271 -2.479 -0.539 1.00 0.00 C ATOM 0 H ALA A 94 5.605 -2.229 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 94 8.350 -3.075 -2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.799 -3.171 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.746 -1.499 -0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.232 -2.396 -0.219 1.00 0.00 H new ATOM 1436 N GLU A 95 7.614 -5.427 -1.751 1.00 0.00 N ATOM 1437 CA GLU A 95 7.240 -6.847 -1.714 1.00 0.00 C ATOM 1438 C GLU A 95 8.071 -7.610 -0.668 1.00 0.00 C ATOM 1439 O GLU A 95 9.281 -7.405 -0.560 1.00 0.00 O ATOM 1440 CB GLU A 95 7.417 -7.448 -3.117 1.00 0.00 C ATOM 1441 CG GLU A 95 7.135 -8.953 -3.209 1.00 0.00 C ATOM 1442 CD GLU A 95 7.254 -9.438 -4.667 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.267 -9.322 -5.435 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.338 -9.935 -5.060 1.00 0.00 O ATOM 0 H GLU A 95 8.588 -5.263 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 95 6.195 -6.938 -1.417 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.755 -6.925 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.438 -7.262 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.837 -9.499 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.135 -9.165 -2.830 1.00 0.00 H new ATOM 1451 N ASP A 96 7.425 -8.495 0.094 1.00 0.00 N ATOM 1452 CA ASP A 96 8.025 -9.349 1.122 1.00 0.00 C ATOM 1453 C ASP A 96 7.398 -10.751 1.135 1.00 0.00 C ATOM 1454 O ASP A 96 6.219 -10.903 0.811 1.00 0.00 O ATOM 1455 CB ASP A 96 7.843 -8.717 2.513 1.00 0.00 C ATOM 1456 CG ASP A 96 8.932 -9.182 3.496 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.136 -9.070 3.162 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.586 -9.662 4.600 1.00 0.00 O ATOM 0 H ASP A 96 6.420 -8.643 0.007 1.00 0.00 H new ATOM 0 HA ASP A 96 9.085 -9.441 0.883 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.871 -7.631 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.861 -8.980 2.907 1.00 0.00 H new ATOM 1463 N THR A 97 8.148 -11.766 1.568 1.00 0.00 N ATOM 1464 CA THR A 97 7.625 -13.134 1.727 1.00 0.00 C ATOM 1465 C THR A 97 8.099 -13.740 3.052 1.00 0.00 C ATOM 1466 O THR A 97 9.281 -13.644 3.392 1.00 0.00 O ATOM 1467 CB THR A 97 7.995 -14.062 0.556 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.016 -13.388 -0.688 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.982 -15.198 0.422 1.00 0.00 C ATOM 0 H THR A 97 9.132 -11.669 1.819 1.00 0.00 H new ATOM 0 HA THR A 97 6.538 -13.050 1.732 1.00 0.00 H new ATOM 0 HB THR A 97 8.991 -14.439 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.257 -14.019 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.264 -15.841 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.967 -15.783 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.991 -14.782 0.240 1.00 0.00 H new ATOM 1477 N ILE A 98 7.181 -14.348 3.812 1.00 0.00 N ATOM 1478 CA ILE A 98 7.429 -14.932 5.143 1.00 0.00 C ATOM 1479 C ILE A 98 7.065 -16.412 5.165 1.00 0.00 C ATOM 1480 O ILE A 98 5.932 -16.769 4.867 1.00 0.00 O ATOM 1481 CB ILE A 98 6.587 -14.221 6.229 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.577 -12.690 6.067 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.100 -14.616 7.619 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.840 -11.905 7.163 1.00 0.00 C ATOM 0 H ILE A 98 6.212 -14.453 3.511 1.00 0.00 H new ATOM 0 HA ILE A 98 8.491 -14.803 5.351 1.00 0.00 H new ATOM 0 HB ILE A 98 5.554 -14.549 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.609 -12.341 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.123 -12.448 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.506 -14.114 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.016 -15.695 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.144 -14.320 7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.897 -10.838 6.947 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.795 -12.214 7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.304 -12.105 8.129 1.00 0.00 H new ATOM 1496 N SER A 99 7.970 -17.280 5.596 1.00 0.00 N ATOM 1497 CA SER A 99 7.670 -18.706 5.776 1.00 0.00 C ATOM 1498 C SER A 99 6.980 -18.931 7.128 1.00 0.00 C ATOM 1499 O SER A 99 7.398 -18.370 8.146 1.00 0.00 O ATOM 1500 CB SER A 99 8.934 -19.554 5.609 1.00 0.00 C ATOM 1501 OG SER A 99 10.015 -19.081 6.402 1.00 0.00 O ATOM 0 H SER A 99 8.929 -17.024 5.831 1.00 0.00 H new ATOM 0 HA SER A 99 6.977 -19.030 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.713 -20.587 5.880 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.231 -19.556 4.560 1.00 0.00 H new ATOM 0 HG SER A 99 10.798 -19.654 6.263 1.00 0.00 H new