USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 595 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 26 TYR OH : rot -137:sc= 2.28 USER MOD Set 1.2: A 60 LYS NZ :NH3+ -146:sc= 1.09 (180deg=-1.09) USER MOD Set 2.1: A 12 TYR OH : rot 130:sc= 0.949 USER MOD Set 2.2: A 14 SER OG : rot -165:sc= 0.811 USER MOD Set 2.3: A 48 GLN : amide:sc= 1.83! C(o=3.6!,f=-0.61!) USER MOD Set 3.1: A 3 THR OG1 : rot -48:sc= 1.62 USER MOD Set 3.2: A 5 GLN : amide:sc= 0.936 K(o=2.6,f=0.42) USER MOD Set 4.1: A 1 LYS N :NH3+ 179:sc= 1.06 (180deg=1.07) USER MOD Set 4.2: A 1 LYS NZ :NH3+ -168:sc= 0.12 (180deg=-0.154) USER MOD Set 4.3: A 47 HIS : no HE2:sc= -0.399 K(o=0.78,f=-2.5!) USER MOD Single : A 4 MET CE :methyl 172:sc= 0 (180deg=-0.0984) USER MOD Single : A 9 ASN : amide:sc= 2.09 K(o=2.1,f=-7.6!) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= -0.0362 (180deg=-0.543) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 1.51 (180deg=1.46) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.928 (180deg=0.85) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 0.661 (180deg=0.325) USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= 0.937 (180deg=0.0318) USER MOD Single : A 38 ASN : amide:sc= 0.869 K(o=0.87,f=-8.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.04 K(o=1,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.00993 (180deg=-0.128) USER MOD Single : A 66 SER OG : rot -70:sc= 1 USER MOD Single : A 74 ASN : amide:sc= 1.45 K(o=1.5,f=-7.8!) USER MOD Single : A 75 MET CE :methyl 168:sc= -0.0119 (180deg=-0.204) USER MOD Single : A 79 TYR OH : rot 31:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 84 ASN : amide:sc= 0.728 K(o=0.73,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 4.505 3.888 -3.358 1.00 0.00 N ATOM 2 CA LYS A 1 4.030 2.672 -4.051 1.00 0.00 C ATOM 3 C LYS A 1 3.040 3.025 -5.160 1.00 0.00 C ATOM 4 O LYS A 1 3.217 2.606 -6.302 1.00 0.00 O ATOM 5 CB LYS A 1 3.462 1.640 -3.066 1.00 0.00 C ATOM 6 CG LYS A 1 4.558 1.179 -2.095 1.00 0.00 C ATOM 7 CD LYS A 1 4.137 -0.053 -1.289 1.00 0.00 C ATOM 8 CE LYS A 1 5.190 -0.385 -0.220 1.00 0.00 C ATOM 9 NZ LYS A 1 6.533 -0.590 -0.797 1.00 0.00 N ATOM 0 H1 LYS A 1 5.163 3.620 -2.598 1.00 0.00 H new ATOM 0 H2 LYS A 1 4.993 4.506 -4.037 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.693 4.395 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 1 4.890 2.201 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.632 2.075 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.066 0.784 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 1 5.465 0.952 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 1 4.801 1.993 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.173 0.129 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.008 -0.905 -1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.231 0.424 0.509 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.887 -1.284 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.160 -1.006 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.466 -1.232 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.921 0.324 -1.107 1.00 0.00 H new ATOM 25 N ALA A 2 2.051 3.868 -4.860 1.00 0.00 N ATOM 26 CA ALA A 2 1.165 4.457 -5.856 1.00 0.00 C ATOM 27 C ALA A 2 1.908 5.582 -6.593 1.00 0.00 C ATOM 28 O ALA A 2 1.408 6.703 -6.656 1.00 0.00 O ATOM 29 CB ALA A 2 -0.092 4.974 -5.141 1.00 0.00 C ATOM 0 H ALA A 2 1.843 4.162 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 2 0.862 3.719 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.768 5.419 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.593 4.145 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.192 5.725 -4.404 1.00 0.00 H new ATOM 35 N THR A 3 3.102 5.275 -7.121 1.00 0.00 N ATOM 36 CA THR A 3 4.110 6.176 -7.685 1.00 0.00 C ATOM 37 C THR A 3 3.541 7.523 -8.131 1.00 0.00 C ATOM 38 O THR A 3 3.738 8.535 -7.463 1.00 0.00 O ATOM 39 CB THR A 3 4.856 5.474 -8.833 1.00 0.00 C ATOM 40 OG1 THR A 3 3.938 4.993 -9.796 1.00 0.00 O ATOM 41 CG2 THR A 3 5.707 4.304 -8.330 1.00 0.00 C ATOM 0 H THR A 3 3.411 4.304 -7.167 1.00 0.00 H new ATOM 0 HA THR A 3 4.814 6.409 -6.886 1.00 0.00 H new ATOM 0 HB THR A 3 5.517 6.214 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.219 4.502 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.217 3.836 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.446 4.671 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.065 3.571 -7.842 1.00 0.00 H new ATOM 49 N MET A 4 2.834 7.511 -9.260 1.00 0.00 N ATOM 50 CA MET A 4 2.078 8.635 -9.791 1.00 0.00 C ATOM 51 C MET A 4 0.618 8.214 -9.992 1.00 0.00 C ATOM 52 O MET A 4 -0.090 8.785 -10.820 1.00 0.00 O ATOM 53 CB MET A 4 2.713 9.096 -11.112 1.00 0.00 C ATOM 54 CG MET A 4 4.154 9.586 -10.920 1.00 0.00 C ATOM 55 SD MET A 4 5.026 10.106 -12.421 1.00 0.00 S ATOM 56 CE MET A 4 4.027 11.521 -12.936 1.00 0.00 C ATOM 0 H MET A 4 2.772 6.682 -9.851 1.00 0.00 H new ATOM 0 HA MET A 4 2.100 9.470 -9.091 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.703 8.272 -11.825 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.112 9.897 -11.542 1.00 0.00 H new ATOM 0 HG2 MET A 4 4.141 10.424 -10.223 1.00 0.00 H new ATOM 0 HG3 MET A 4 4.728 8.788 -10.449 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.519 12.032 -13.763 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.044 11.175 -13.256 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.914 12.210 -12.099 1.00 0.00 H new ATOM 66 N GLN A 5 0.148 7.207 -9.247 1.00 0.00 N ATOM 67 CA GLN A 5 -1.201 6.685 -9.416 1.00 0.00 C ATOM 68 C GLN A 5 -2.158 7.562 -8.613 1.00 0.00 C ATOM 69 O GLN A 5 -2.767 7.121 -7.642 1.00 0.00 O ATOM 70 CB GLN A 5 -1.281 5.198 -9.036 1.00 0.00 C ATOM 71 CG GLN A 5 -0.624 4.277 -10.073 1.00 0.00 C ATOM 72 CD GLN A 5 0.897 4.377 -10.072 1.00 0.00 C ATOM 73 OE1 GLN A 5 1.553 3.867 -9.170 1.00 0.00 O ATOM 74 NE2 GLN A 5 1.490 5.030 -11.067 1.00 0.00 N ATOM 0 H GLN A 5 0.689 6.740 -8.520 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.493 6.726 -10.465 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.799 5.049 -8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.327 4.915 -8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.916 3.246 -9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.999 4.528 -11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.928 5.448 -11.809 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.506 5.113 -11.088 1.00 0.00 H new ATOM 83 N CYS A 6 -2.283 8.819 -9.040 1.00 0.00 N ATOM 84 CA CYS A 6 -3.133 9.818 -8.410 1.00 0.00 C ATOM 85 C CYS A 6 -4.594 9.546 -8.776 1.00 0.00 C ATOM 86 O CYS A 6 -5.233 10.344 -9.456 1.00 0.00 O ATOM 87 CB CYS A 6 -2.702 11.220 -8.856 1.00 0.00 C ATOM 88 SG CYS A 6 -0.975 11.668 -8.562 1.00 0.00 S ATOM 0 H CYS A 6 -1.782 9.175 -9.854 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.032 9.761 -7.326 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.901 11.314 -9.923 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.334 11.948 -8.348 1.00 0.00 H new ATOM 93 N GLY A 7 -5.113 8.393 -8.354 1.00 0.00 N ATOM 94 CA GLY A 7 -6.471 7.971 -8.656 1.00 0.00 C ATOM 95 C GLY A 7 -7.506 8.872 -7.983 1.00 0.00 C ATOM 96 O GLY A 7 -8.589 9.077 -8.526 1.00 0.00 O ATOM 0 H GLY A 7 -4.593 7.723 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.624 7.984 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.614 6.942 -8.326 1.00 0.00 H new ATOM 100 N GLU A 8 -7.179 9.387 -6.794 1.00 0.00 N ATOM 101 CA GLU A 8 -8.044 10.243 -5.999 1.00 0.00 C ATOM 102 C GLU A 8 -7.403 11.626 -5.833 1.00 0.00 C ATOM 103 O GLU A 8 -6.407 11.957 -6.477 1.00 0.00 O ATOM 104 CB GLU A 8 -8.327 9.579 -4.635 1.00 0.00 C ATOM 105 CG GLU A 8 -8.730 8.099 -4.736 1.00 0.00 C ATOM 106 CD GLU A 8 -7.528 7.158 -4.790 1.00 0.00 C ATOM 107 OE1 GLU A 8 -6.779 7.140 -3.790 1.00 0.00 O ATOM 108 OE2 GLU A 8 -7.386 6.467 -5.823 1.00 0.00 O ATOM 0 H GLU A 8 -6.277 9.211 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.997 10.378 -6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.438 9.662 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.123 10.129 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.351 7.838 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.339 7.954 -5.628 1.00 0.00 H new ATOM 115 N ASN A 9 -7.970 12.421 -4.924 1.00 0.00 N ATOM 116 CA ASN A 9 -7.463 13.696 -4.428 1.00 0.00 C ATOM 117 C ASN A 9 -6.116 13.514 -3.719 1.00 0.00 C ATOM 118 O ASN A 9 -6.017 13.583 -2.491 1.00 0.00 O ATOM 119 CB ASN A 9 -8.516 14.391 -3.538 1.00 0.00 C ATOM 120 CG ASN A 9 -9.217 13.506 -2.502 1.00 0.00 C ATOM 121 OD1 ASN A 9 -9.392 12.306 -2.696 1.00 0.00 O ATOM 122 ND2 ASN A 9 -9.696 14.093 -1.415 1.00 0.00 N ATOM 0 H ASN A 9 -8.857 12.171 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.280 14.355 -5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.031 15.214 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.276 14.829 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.217 13.547 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.544 15.090 -1.265 1.00 0.00 H new ATOM 129 N GLU A 10 -5.079 13.281 -4.526 1.00 0.00 N ATOM 130 CA GLU A 10 -3.721 12.965 -4.119 1.00 0.00 C ATOM 131 C GLU A 10 -2.717 13.892 -4.829 1.00 0.00 C ATOM 132 O GLU A 10 -3.066 14.532 -5.819 1.00 0.00 O ATOM 133 CB GLU A 10 -3.457 11.495 -4.478 1.00 0.00 C ATOM 134 CG GLU A 10 -4.352 10.511 -3.711 1.00 0.00 C ATOM 135 CD GLU A 10 -4.292 9.115 -4.324 1.00 0.00 C ATOM 136 OE1 GLU A 10 -4.749 8.992 -5.481 1.00 0.00 O ATOM 137 OE2 GLU A 10 -3.811 8.195 -3.630 1.00 0.00 O ATOM 0 H GLU A 10 -5.178 13.311 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.599 13.116 -3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.611 11.357 -5.548 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.412 11.260 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.037 10.467 -2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.381 10.870 -3.719 1.00 0.00 H new ATOM 144 N LYS A 11 -1.476 13.963 -4.331 1.00 0.00 N ATOM 145 CA LYS A 11 -0.367 14.741 -4.874 1.00 0.00 C ATOM 146 C LYS A 11 0.918 13.909 -4.817 1.00 0.00 C ATOM 147 O LYS A 11 1.086 13.101 -3.907 1.00 0.00 O ATOM 148 CB LYS A 11 -0.192 16.045 -4.078 1.00 0.00 C ATOM 149 CG LYS A 11 0.091 15.807 -2.584 1.00 0.00 C ATOM 150 CD LYS A 11 0.414 17.131 -1.881 1.00 0.00 C ATOM 151 CE LYS A 11 0.615 16.940 -0.372 1.00 0.00 C ATOM 152 NZ LYS A 11 1.746 16.046 -0.068 1.00 0.00 N ATOM 0 H LYS A 11 -1.209 13.449 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.583 14.996 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.627 16.620 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.094 16.649 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.775 15.340 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.926 15.116 -2.472 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.315 17.563 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.395 17.841 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.785 17.910 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.296 16.531 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.394 15.191 0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.224 15.778 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.419 16.537 0.554 1.00 0.00 H new ATOM 166 N TYR A 12 1.838 14.106 -5.762 1.00 0.00 N ATOM 167 CA TYR A 12 3.105 13.385 -5.774 1.00 0.00 C ATOM 168 C TYR A 12 3.950 13.745 -4.546 1.00 0.00 C ATOM 169 O TYR A 12 4.092 14.925 -4.231 1.00 0.00 O ATOM 170 CB TYR A 12 3.862 13.703 -7.066 1.00 0.00 C ATOM 171 CG TYR A 12 5.104 12.857 -7.255 1.00 0.00 C ATOM 172 CD1 TYR A 12 4.978 11.535 -7.716 1.00 0.00 C ATOM 173 CD2 TYR A 12 6.376 13.371 -6.943 1.00 0.00 C ATOM 174 CE1 TYR A 12 6.125 10.762 -7.962 1.00 0.00 C ATOM 175 CE2 TYR A 12 7.522 12.587 -7.162 1.00 0.00 C ATOM 176 CZ TYR A 12 7.397 11.302 -7.715 1.00 0.00 C ATOM 177 OH TYR A 12 8.516 10.580 -8.010 1.00 0.00 O ATOM 0 H TYR A 12 1.725 14.764 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 12 2.903 12.315 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.196 13.553 -7.916 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.144 14.756 -7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.998 11.113 -7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.472 14.367 -6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.028 9.755 -8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.498 12.972 -6.905 1.00 0.00 H new ATOM 0 HH TYR A 12 9.132 11.131 -8.537 1.00 0.00 H new ATOM 187 N ASP A 13 4.536 12.748 -3.873 1.00 0.00 N ATOM 188 CA ASP A 13 5.500 12.962 -2.803 1.00 0.00 C ATOM 189 C ASP A 13 6.434 11.755 -2.692 1.00 0.00 C ATOM 190 O ASP A 13 6.083 10.635 -3.057 1.00 0.00 O ATOM 191 CB ASP A 13 4.769 13.228 -1.480 1.00 0.00 C ATOM 192 CG ASP A 13 5.714 13.484 -0.310 1.00 0.00 C ATOM 193 OD1 ASP A 13 6.799 14.055 -0.558 1.00 0.00 O ATOM 194 OD2 ASP A 13 5.336 13.092 0.814 1.00 0.00 O ATOM 0 H ASP A 13 4.348 11.763 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 13 6.107 13.838 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.112 14.089 -1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.134 12.374 -1.245 1.00 0.00 H new ATOM 199 N SER A 14 7.642 11.987 -2.186 1.00 0.00 N ATOM 200 CA SER A 14 8.658 10.961 -2.019 1.00 0.00 C ATOM 201 C SER A 14 8.554 10.324 -0.631 1.00 0.00 C ATOM 202 O SER A 14 9.517 10.402 0.126 1.00 0.00 O ATOM 203 CB SER A 14 10.037 11.589 -2.267 1.00 0.00 C ATOM 204 OG SER A 14 10.049 12.249 -3.522 1.00 0.00 O ATOM 0 H SER A 14 7.944 12.911 -1.876 1.00 0.00 H new ATOM 0 HA SER A 14 8.507 10.159 -2.742 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.272 12.297 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.807 10.818 -2.245 1.00 0.00 H new ATOM 0 HG SER A 14 10.974 12.438 -3.783 1.00 0.00 H new ATOM 210 N CYS A 15 7.410 9.715 -0.273 1.00 0.00 N ATOM 211 CA CYS A 15 7.268 9.153 1.077 1.00 0.00 C ATOM 212 C CYS A 15 6.326 7.947 1.205 1.00 0.00 C ATOM 213 O CYS A 15 5.388 7.928 2.003 1.00 0.00 O ATOM 214 CB CYS A 15 7.043 10.244 2.140 1.00 0.00 C ATOM 215 SG CYS A 15 8.288 10.275 3.463 1.00 0.00 S ATOM 0 H CYS A 15 6.597 9.602 -0.878 1.00 0.00 H new ATOM 0 HA CYS A 15 8.239 8.705 1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.030 11.216 1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.059 10.100 2.587 1.00 0.00 H new ATOM 220 N GLY A 16 6.639 6.900 0.442 1.00 0.00 N ATOM 221 CA GLY A 16 6.061 5.564 0.532 1.00 0.00 C ATOM 222 C GLY A 16 4.544 5.565 0.455 1.00 0.00 C ATOM 223 O GLY A 16 3.953 6.477 -0.111 1.00 0.00 O ATOM 0 H GLY A 16 7.341 6.967 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.459 4.947 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.371 5.103 1.470 1.00 0.00 H new ATOM 227 N SER A 17 3.910 4.540 1.026 1.00 0.00 N ATOM 228 CA SER A 17 2.472 4.323 1.005 1.00 0.00 C ATOM 229 C SER A 17 1.706 5.382 1.819 1.00 0.00 C ATOM 230 O SER A 17 1.049 5.045 2.801 1.00 0.00 O ATOM 231 CB SER A 17 2.219 2.921 1.573 1.00 0.00 C ATOM 232 OG SER A 17 3.193 2.023 1.074 1.00 0.00 O ATOM 0 H SER A 17 4.410 3.811 1.535 1.00 0.00 H new ATOM 0 HA SER A 17 2.107 4.409 -0.018 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.257 2.947 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.221 2.581 1.297 1.00 0.00 H new ATOM 0 HG SER A 17 3.031 1.128 1.439 1.00 0.00 H new ATOM 238 N LYS A 18 1.793 6.655 1.424 1.00 0.00 N ATOM 239 CA LYS A 18 1.307 7.798 2.179 1.00 0.00 C ATOM 240 C LYS A 18 1.843 7.747 3.614 1.00 0.00 C ATOM 241 O LYS A 18 1.084 7.938 4.566 1.00 0.00 O ATOM 242 CB LYS A 18 -0.229 7.844 2.145 1.00 0.00 C ATOM 243 CG LYS A 18 -0.810 7.529 0.760 1.00 0.00 C ATOM 244 CD LYS A 18 -2.261 8.022 0.655 1.00 0.00 C ATOM 245 CE LYS A 18 -2.780 8.044 -0.789 1.00 0.00 C ATOM 246 NZ LYS A 18 -2.509 6.790 -1.509 1.00 0.00 N ATOM 0 H LYS A 18 2.220 6.921 0.537 1.00 0.00 H new ATOM 0 HA LYS A 18 1.674 8.716 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.624 7.131 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.564 8.833 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.203 8.003 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.772 6.455 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.903 7.378 1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.330 9.025 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.854 8.229 -0.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.317 8.873 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.939 6.833 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.482 6.658 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.915 5.992 -0.980 1.00 0.00 H new ATOM 260 N GLU A 19 3.143 7.480 3.780 1.00 0.00 N ATOM 261 CA GLU A 19 3.689 7.186 5.094 1.00 0.00 C ATOM 262 C GLU A 19 3.507 8.356 6.053 1.00 0.00 C ATOM 263 O GLU A 19 4.092 9.421 5.880 1.00 0.00 O ATOM 264 CB GLU A 19 5.138 6.720 5.014 1.00 0.00 C ATOM 265 CG GLU A 19 5.194 5.440 4.175 1.00 0.00 C ATOM 266 CD GLU A 19 6.528 4.723 4.279 1.00 0.00 C ATOM 267 OE1 GLU A 19 7.524 5.393 4.624 1.00 0.00 O ATOM 268 OE2 GLU A 19 6.526 3.503 4.012 1.00 0.00 O ATOM 0 H GLU A 19 3.826 7.463 3.023 1.00 0.00 H new ATOM 0 HA GLU A 19 3.118 6.353 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.760 7.494 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.532 6.535 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.399 4.766 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.001 5.687 3.131 1.00 0.00 H new ATOM 275 N CYS A 20 2.668 8.117 7.061 1.00 0.00 N ATOM 276 CA CYS A 20 2.151 9.054 8.044 1.00 0.00 C ATOM 277 C CYS A 20 1.726 10.381 7.410 1.00 0.00 C ATOM 278 O CYS A 20 1.696 11.415 8.074 1.00 0.00 O ATOM 279 CB CYS A 20 3.157 9.205 9.199 1.00 0.00 C ATOM 280 SG CYS A 20 4.198 7.741 9.459 1.00 0.00 S ATOM 0 H CYS A 20 2.304 7.177 7.220 1.00 0.00 H new ATOM 0 HA CYS A 20 1.232 8.652 8.471 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.798 10.064 9.001 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.612 9.419 10.118 1.00 0.00 H new ATOM 285 N ASP A 21 1.326 10.335 6.135 1.00 0.00 N ATOM 286 CA ASP A 21 0.860 11.481 5.383 1.00 0.00 C ATOM 287 C ASP A 21 -0.639 11.596 5.612 1.00 0.00 C ATOM 288 O ASP A 21 -1.408 10.773 5.120 1.00 0.00 O ATOM 289 CB ASP A 21 1.180 11.310 3.896 1.00 0.00 C ATOM 290 CG ASP A 21 0.509 12.397 3.065 1.00 0.00 C ATOM 291 OD1 ASP A 21 1.023 13.536 3.093 1.00 0.00 O ATOM 292 OD2 ASP A 21 -0.517 12.070 2.431 1.00 0.00 O ATOM 0 H ASP A 21 1.321 9.471 5.592 1.00 0.00 H new ATOM 0 HA ASP A 21 1.360 12.391 5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.259 11.346 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.844 10.330 3.558 1.00 0.00 H new ATOM 297 N LYS A 22 -1.034 12.632 6.353 1.00 0.00 N ATOM 298 CA LYS A 22 -2.412 12.930 6.704 1.00 0.00 C ATOM 299 C LYS A 22 -3.201 11.673 7.109 1.00 0.00 C ATOM 300 O LYS A 22 -4.339 11.484 6.688 1.00 0.00 O ATOM 301 CB LYS A 22 -3.095 13.641 5.520 1.00 0.00 C ATOM 302 CG LYS A 22 -2.268 14.707 4.780 1.00 0.00 C ATOM 303 CD LYS A 22 -1.802 15.884 5.650 1.00 0.00 C ATOM 304 CE LYS A 22 -2.950 16.584 6.386 1.00 0.00 C ATOM 305 NZ LYS A 22 -4.033 17.000 5.477 1.00 0.00 N ATOM 0 H LYS A 22 -0.374 13.308 6.737 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.403 13.584 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.397 12.883 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.007 14.113 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.392 14.228 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.862 15.098 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.078 15.523 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.286 16.610 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.354 15.913 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.563 17.459 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.718 17.585 5.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.634 17.551 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.513 16.158 5.100 1.00 0.00 H new ATOM 319 N LYS A 23 -2.627 10.803 7.944 1.00 0.00 N ATOM 320 CA LYS A 23 -3.374 9.652 8.434 1.00 0.00 C ATOM 321 C LYS A 23 -4.462 10.124 9.407 1.00 0.00 C ATOM 322 O LYS A 23 -4.189 10.955 10.272 1.00 0.00 O ATOM 323 CB LYS A 23 -2.433 8.574 9.000 1.00 0.00 C ATOM 324 CG LYS A 23 -1.931 8.765 10.438 1.00 0.00 C ATOM 325 CD LYS A 23 -1.081 10.024 10.663 1.00 0.00 C ATOM 326 CE LYS A 23 -0.653 10.132 12.131 1.00 0.00 C ATOM 327 NZ LYS A 23 0.150 8.975 12.569 1.00 0.00 N ATOM 0 H LYS A 23 -1.669 10.874 8.286 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.888 9.160 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.948 7.615 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.564 8.506 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.791 8.801 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.343 7.892 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.199 9.993 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.650 10.909 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.076 11.046 12.272 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.539 10.215 12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.611 9.195 13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.469 8.148 12.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.875 8.765 11.854 1.00 0.00 H new ATOM 341 N CYS A 24 -5.702 9.640 9.265 1.00 0.00 N ATOM 342 CA CYS A 24 -6.744 9.953 10.238 1.00 0.00 C ATOM 343 C CYS A 24 -6.356 9.401 11.609 1.00 0.00 C ATOM 344 O CYS A 24 -5.677 8.376 11.684 1.00 0.00 O ATOM 345 CB CYS A 24 -8.072 9.347 9.791 1.00 0.00 C ATOM 346 SG CYS A 24 -9.467 9.630 10.893 1.00 0.00 S ATOM 0 H CYS A 24 -6.001 9.040 8.497 1.00 0.00 H new ATOM 0 HA CYS A 24 -6.853 11.035 10.307 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.321 9.748 8.808 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.938 8.272 9.672 1.00 0.00 H new ATOM 351 N LYS A 25 -6.779 10.068 12.688 1.00 0.00 N ATOM 352 CA LYS A 25 -6.629 9.556 14.038 1.00 0.00 C ATOM 353 C LYS A 25 -7.983 9.519 14.718 1.00 0.00 C ATOM 354 O LYS A 25 -8.678 10.532 14.813 1.00 0.00 O ATOM 355 CB LYS A 25 -5.675 10.421 14.866 1.00 0.00 C ATOM 356 CG LYS A 25 -5.209 9.757 16.172 1.00 0.00 C ATOM 357 CD LYS A 25 -4.498 8.404 16.007 1.00 0.00 C ATOM 358 CE LYS A 25 -3.352 8.465 14.989 1.00 0.00 C ATOM 359 NZ LYS A 25 -2.528 7.247 15.047 1.00 0.00 N ATOM 0 H LYS A 25 -7.235 10.979 12.641 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.209 8.552 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.801 10.663 14.261 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.168 11.363 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.535 10.442 16.687 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.076 9.616 16.818 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.106 8.083 16.972 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.222 7.653 15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.759 8.585 13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.731 9.338 15.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.084 7.084 14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.789 7.362 15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.128 6.433 15.291 1.00 0.00 H new ATOM 373 N TYR A 26 -8.306 8.342 15.234 1.00 0.00 N ATOM 374 CA TYR A 26 -9.412 8.084 16.114 1.00 0.00 C ATOM 375 C TYR A 26 -8.999 6.852 16.909 1.00 0.00 C ATOM 376 O TYR A 26 -8.056 6.158 16.529 1.00 0.00 O ATOM 377 CB TYR A 26 -10.738 7.930 15.349 1.00 0.00 C ATOM 378 CG TYR A 26 -10.725 7.199 14.019 1.00 0.00 C ATOM 379 CD1 TYR A 26 -10.150 5.921 13.899 1.00 0.00 C ATOM 380 CD2 TYR A 26 -11.457 7.730 12.940 1.00 0.00 C ATOM 381 CE1 TYR A 26 -10.255 5.207 12.696 1.00 0.00 C ATOM 382 CE2 TYR A 26 -11.567 7.013 11.738 1.00 0.00 C ATOM 383 CZ TYR A 26 -10.949 5.759 11.609 1.00 0.00 C ATOM 384 OH TYR A 26 -11.006 5.077 10.434 1.00 0.00 O ATOM 0 H TYR A 26 -7.766 7.501 15.032 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.617 8.918 16.786 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.441 7.415 16.004 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.138 8.929 15.175 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.625 5.487 14.737 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.936 8.693 13.037 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.801 4.231 12.607 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.127 7.426 10.912 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.862 5.697 9.689 1.00 0.00 H new ATOM 394 N ASP A 27 -9.699 6.606 18.011 1.00 0.00 N ATOM 395 CA ASP A 27 -9.588 5.386 18.809 1.00 0.00 C ATOM 396 C ASP A 27 -9.505 4.137 17.924 1.00 0.00 C ATOM 397 O ASP A 27 -8.655 3.275 18.125 1.00 0.00 O ATOM 398 CB ASP A 27 -10.733 5.283 19.828 1.00 0.00 C ATOM 399 CG ASP A 27 -12.135 5.593 19.303 1.00 0.00 C ATOM 400 OD1 ASP A 27 -12.492 5.103 18.207 1.00 0.00 O ATOM 401 OD2 ASP A 27 -12.847 6.310 20.036 1.00 0.00 O ATOM 0 H ASP A 27 -10.379 7.267 18.386 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.654 5.444 19.369 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.737 4.273 20.238 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.519 5.962 20.654 1.00 0.00 H new ATOM 406 N GLY A 28 -10.390 4.057 16.933 1.00 0.00 N ATOM 407 CA GLY A 28 -10.332 3.061 15.876 1.00 0.00 C ATOM 408 C GLY A 28 -10.756 1.678 16.353 1.00 0.00 C ATOM 409 O GLY A 28 -10.380 0.674 15.752 1.00 0.00 O ATOM 0 H GLY A 28 -11.180 4.696 16.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.976 3.371 15.053 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -9.316 3.011 15.484 1.00 0.00 H new ATOM 413 N VAL A 29 -11.608 1.611 17.381 1.00 0.00 N ATOM 414 CA VAL A 29 -12.247 0.367 17.796 1.00 0.00 C ATOM 415 C VAL A 29 -13.412 0.065 16.843 1.00 0.00 C ATOM 416 O VAL A 29 -14.565 -0.070 17.242 1.00 0.00 O ATOM 417 CB VAL A 29 -12.587 0.433 19.301 1.00 0.00 C ATOM 418 CG1 VAL A 29 -13.585 1.536 19.685 1.00 0.00 C ATOM 419 CG2 VAL A 29 -13.060 -0.923 19.844 1.00 0.00 C ATOM 0 H VAL A 29 -11.871 2.419 17.945 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.582 -0.492 17.711 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.643 0.699 19.776 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.764 1.507 20.760 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.176 2.508 19.412 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -14.525 1.376 19.156 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.288 -0.830 20.906 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.955 -1.238 19.307 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.274 -1.665 19.705 1.00 0.00 H new ATOM 429 N GLU A 30 -13.096 -0.008 15.548 1.00 0.00 N ATOM 430 CA GLU A 30 -14.040 -0.203 14.468 1.00 0.00 C ATOM 431 C GLU A 30 -13.247 -0.592 13.224 1.00 0.00 C ATOM 432 O GLU A 30 -12.152 -0.080 13.008 1.00 0.00 O ATOM 433 CB GLU A 30 -14.868 1.072 14.236 1.00 0.00 C ATOM 434 CG GLU A 30 -14.016 2.345 14.102 1.00 0.00 C ATOM 435 CD GLU A 30 -14.844 3.527 13.612 1.00 0.00 C ATOM 436 OE1 GLU A 30 -15.994 3.657 14.084 1.00 0.00 O ATOM 437 OE2 GLU A 30 -14.306 4.284 12.775 1.00 0.00 O ATOM 0 H GLU A 30 -12.134 0.072 15.220 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.748 -0.995 14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.465 0.948 13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.566 1.198 15.064 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.570 2.588 15.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.195 2.163 13.408 1.00 0.00 H new ATOM 444 N GLU A 31 -13.799 -1.506 12.423 1.00 0.00 N ATOM 445 CA GLU A 31 -13.233 -1.970 11.161 1.00 0.00 C ATOM 446 C GLU A 31 -11.746 -2.324 11.280 1.00 0.00 C ATOM 447 O GLU A 31 -10.968 -2.094 10.355 1.00 0.00 O ATOM 448 CB GLU A 31 -13.495 -0.938 10.051 1.00 0.00 C ATOM 449 CG GLU A 31 -14.943 -0.424 10.024 1.00 0.00 C ATOM 450 CD GLU A 31 -15.964 -1.558 10.034 1.00 0.00 C ATOM 451 OE1 GLU A 31 -16.231 -2.090 8.935 1.00 0.00 O ATOM 452 OE2 GLU A 31 -16.442 -1.881 11.144 1.00 0.00 O ATOM 0 H GLU A 31 -14.685 -1.958 12.647 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.737 -2.898 10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.820 -0.093 10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.258 -1.386 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.113 0.221 10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.092 0.187 9.134 1.00 0.00 H new ATOM 459 N GLU A 32 -11.365 -2.929 12.409 1.00 0.00 N ATOM 460 CA GLU A 32 -9.991 -3.279 12.732 1.00 0.00 C ATOM 461 C GLU A 32 -9.377 -4.172 11.650 1.00 0.00 C ATOM 462 O GLU A 32 -8.173 -4.123 11.416 1.00 0.00 O ATOM 463 CB GLU A 32 -9.926 -3.941 14.118 1.00 0.00 C ATOM 464 CG GLU A 32 -10.358 -2.998 15.258 1.00 0.00 C ATOM 465 CD GLU A 32 -11.833 -3.098 15.656 1.00 0.00 C ATOM 466 OE1 GLU A 32 -12.668 -3.356 14.760 1.00 0.00 O ATOM 467 OE2 GLU A 32 -12.106 -2.903 16.860 1.00 0.00 O ATOM 0 H GLU A 32 -12.027 -3.193 13.139 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.398 -2.365 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.565 -4.824 14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.908 -4.283 14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.746 -3.208 16.135 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.146 -1.971 14.960 1.00 0.00 H new ATOM 474 N ASP A 33 -10.220 -4.948 10.959 1.00 0.00 N ATOM 475 CA ASP A 33 -9.877 -5.740 9.783 1.00 0.00 C ATOM 476 C ASP A 33 -9.052 -4.951 8.758 1.00 0.00 C ATOM 477 O ASP A 33 -8.237 -5.534 8.050 1.00 0.00 O ATOM 478 CB ASP A 33 -11.164 -6.250 9.114 1.00 0.00 C ATOM 479 CG ASP A 33 -12.058 -7.022 10.078 1.00 0.00 C ATOM 480 OD1 ASP A 33 -12.669 -6.345 10.936 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.109 -8.264 9.949 1.00 0.00 O ATOM 0 H ASP A 33 -11.202 -5.042 11.220 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.263 -6.573 10.124 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.718 -5.404 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.902 -6.892 8.273 1.00 0.00 H new ATOM 486 N ASP A 34 -9.273 -3.636 8.656 1.00 0.00 N ATOM 487 CA ASP A 34 -8.534 -2.771 7.743 1.00 0.00 C ATOM 488 C ASP A 34 -7.045 -2.690 8.112 1.00 0.00 C ATOM 489 O ASP A 34 -6.210 -2.471 7.237 1.00 0.00 O ATOM 490 CB ASP A 34 -9.183 -1.380 7.733 1.00 0.00 C ATOM 491 CG ASP A 34 -8.601 -0.471 6.655 1.00 0.00 C ATOM 492 OD1 ASP A 34 -8.633 -0.886 5.476 1.00 0.00 O ATOM 493 OD2 ASP A 34 -8.167 0.643 7.021 1.00 0.00 O ATOM 0 H ASP A 34 -9.974 -3.144 9.209 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.580 -3.198 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.256 -1.485 7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.049 -0.913 8.709 1.00 0.00 H new ATOM 498 N GLU A 35 -6.716 -2.856 9.400 1.00 0.00 N ATOM 499 CA GLU A 35 -5.377 -2.825 9.983 1.00 0.00 C ATOM 500 C GLU A 35 -4.708 -1.452 9.860 1.00 0.00 C ATOM 501 O GLU A 35 -4.475 -0.789 10.866 1.00 0.00 O ATOM 502 CB GLU A 35 -4.486 -3.952 9.436 1.00 0.00 C ATOM 503 CG GLU A 35 -5.065 -5.337 9.763 1.00 0.00 C ATOM 504 CD GLU A 35 -4.164 -6.482 9.304 1.00 0.00 C ATOM 505 OE1 GLU A 35 -3.112 -6.186 8.695 1.00 0.00 O ATOM 506 OE2 GLU A 35 -4.544 -7.640 9.579 1.00 0.00 O ATOM 0 H GLU A 35 -7.431 -3.027 10.107 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.504 -3.006 11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.384 -3.845 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.486 -3.865 9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.223 -5.414 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.042 -5.438 9.290 1.00 0.00 H new ATOM 513 N GLU A 36 -4.378 -1.049 8.630 1.00 0.00 N ATOM 514 CA GLU A 36 -3.766 0.226 8.289 1.00 0.00 C ATOM 515 C GLU A 36 -2.628 0.613 9.252 1.00 0.00 C ATOM 516 O GLU A 36 -2.744 1.605 9.972 1.00 0.00 O ATOM 517 CB GLU A 36 -4.860 1.298 8.198 1.00 0.00 C ATOM 518 CG GLU A 36 -4.396 2.518 7.387 1.00 0.00 C ATOM 519 CD GLU A 36 -5.413 3.654 7.419 1.00 0.00 C ATOM 520 OE1 GLU A 36 -6.527 3.411 7.929 1.00 0.00 O ATOM 521 OE2 GLU A 36 -5.044 4.755 6.955 1.00 0.00 O ATOM 0 H GLU A 36 -4.540 -1.634 7.811 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.285 0.137 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.750 0.871 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.143 1.615 9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.444 2.874 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.220 2.219 6.354 1.00 0.00 H new ATOM 528 N PRO A 37 -1.484 -0.095 9.224 1.00 0.00 N ATOM 529 CA PRO A 37 -0.320 0.210 10.060 1.00 0.00 C ATOM 530 C PRO A 37 0.252 1.620 9.821 1.00 0.00 C ATOM 531 O PRO A 37 1.116 2.088 10.566 1.00 0.00 O ATOM 532 CB PRO A 37 0.693 -0.901 9.760 1.00 0.00 C ATOM 533 CG PRO A 37 0.311 -1.381 8.362 1.00 0.00 C ATOM 534 CD PRO A 37 -1.208 -1.234 8.360 1.00 0.00 C ATOM 0 HA PRO A 37 -0.592 0.230 11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.716 -0.526 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.629 -1.708 10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.777 -0.776 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.618 -2.413 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.586 -1.064 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.691 -2.137 8.733 1.00 0.00 H new ATOM 542 N ASN A 38 -0.241 2.323 8.797 1.00 0.00 N ATOM 543 CA ASN A 38 0.041 3.729 8.581 1.00 0.00 C ATOM 544 C ASN A 38 -0.523 4.599 9.711 1.00 0.00 C ATOM 545 O ASN A 38 0.091 5.595 10.087 1.00 0.00 O ATOM 546 CB ASN A 38 -0.537 4.146 7.222 1.00 0.00 C ATOM 547 CG ASN A 38 0.086 5.441 6.723 1.00 0.00 C ATOM 548 OD1 ASN A 38 1.225 5.745 7.051 1.00 0.00 O ATOM 549 ND2 ASN A 38 -0.629 6.198 5.902 1.00 0.00 N ATOM 0 H ASN A 38 -0.855 1.918 8.090 1.00 0.00 H new ATOM 0 HA ASN A 38 1.121 3.879 8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.364 3.354 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.617 4.270 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.232 7.059 5.526 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.576 5.919 5.646 1.00 0.00 H new ATOM 556 N VAL A 39 -1.681 4.226 10.277 1.00 0.00 N ATOM 557 CA VAL A 39 -2.304 4.961 11.378 1.00 0.00 C ATOM 558 C VAL A 39 -1.311 5.153 12.537 1.00 0.00 C ATOM 559 O VAL A 39 -0.977 6.298 12.846 1.00 0.00 O ATOM 560 CB VAL A 39 -3.657 4.337 11.776 1.00 0.00 C ATOM 561 CG1 VAL A 39 -4.232 4.959 13.053 1.00 0.00 C ATOM 562 CG2 VAL A 39 -4.668 4.552 10.646 1.00 0.00 C ATOM 0 H VAL A 39 -2.209 3.405 9.981 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.554 5.968 11.044 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.481 3.277 11.957 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.185 4.486 13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.535 4.807 13.877 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.386 6.027 12.900 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.625 4.112 10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.797 5.620 10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.302 4.077 9.735 1.00 0.00 H new ATOM 572 N PRO A 40 -0.769 4.087 13.150 1.00 0.00 N ATOM 573 CA PRO A 40 0.290 4.204 14.148 1.00 0.00 C ATOM 574 C PRO A 40 1.672 4.482 13.525 1.00 0.00 C ATOM 575 O PRO A 40 2.683 4.131 14.127 1.00 0.00 O ATOM 576 CB PRO A 40 0.258 2.869 14.903 1.00 0.00 C ATOM 577 CG PRO A 40 -0.157 1.885 13.811 1.00 0.00 C ATOM 578 CD PRO A 40 -1.189 2.699 13.033 1.00 0.00 C ATOM 0 HA PRO A 40 0.124 5.056 14.807 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.230 2.619 15.327 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.455 2.885 15.727 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.685 1.589 13.186 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.584 0.971 14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.226 2.388 11.989 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.189 2.557 13.443 1.00 0.00 H new ATOM 586 N CYS A 41 1.738 5.141 12.360 1.00 0.00 N ATOM 587 CA CYS A 41 2.965 5.559 11.690 1.00 0.00 C ATOM 588 C CYS A 41 4.078 4.503 11.719 1.00 0.00 C ATOM 589 O CYS A 41 5.221 4.795 12.072 1.00 0.00 O ATOM 590 CB CYS A 41 3.403 6.912 12.276 1.00 0.00 C ATOM 591 SG CYS A 41 4.777 7.754 11.447 1.00 0.00 S ATOM 0 H CYS A 41 0.900 5.406 11.842 1.00 0.00 H new ATOM 0 HA CYS A 41 2.756 5.677 10.627 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.542 7.580 12.270 1.00 0.00 H new ATOM 0 HB3 CYS A 41 3.679 6.757 13.319 1.00 0.00 H new ATOM 596 N LEU A 42 3.763 3.273 11.297 1.00 0.00 N ATOM 597 CA LEU A 42 4.733 2.181 11.284 1.00 0.00 C ATOM 598 C LEU A 42 5.582 2.218 10.008 1.00 0.00 C ATOM 599 O LEU A 42 6.807 2.153 10.066 1.00 0.00 O ATOM 600 CB LEU A 42 3.975 0.856 11.446 1.00 0.00 C ATOM 601 CG LEU A 42 4.860 -0.376 11.715 1.00 0.00 C ATOM 602 CD1 LEU A 42 4.022 -1.441 12.434 1.00 0.00 C ATOM 603 CD2 LEU A 42 5.421 -1.001 10.429 1.00 0.00 C ATOM 0 H LEU A 42 2.837 3.012 10.959 1.00 0.00 H new ATOM 0 HA LEU A 42 5.432 2.287 12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.265 0.960 12.266 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.393 0.675 10.542 1.00 0.00 H new ATOM 0 HG LEU A 42 5.702 -0.040 12.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.639 -2.318 12.630 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.654 -1.038 13.378 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.177 -1.724 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.036 -1.864 10.682 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.597 -1.318 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.028 -0.265 9.902 1.00 0.00 H new ATOM 615 N VAL A 43 4.922 2.261 8.847 1.00 0.00 N ATOM 616 CA VAL A 43 5.563 2.094 7.545 1.00 0.00 C ATOM 617 C VAL A 43 6.622 3.179 7.282 1.00 0.00 C ATOM 618 O VAL A 43 6.328 4.368 7.397 1.00 0.00 O ATOM 619 CB VAL A 43 4.497 2.015 6.432 1.00 0.00 C ATOM 620 CG1 VAL A 43 3.781 0.659 6.480 1.00 0.00 C ATOM 621 CG2 VAL A 43 3.442 3.127 6.520 1.00 0.00 C ATOM 0 H VAL A 43 3.915 2.415 8.787 1.00 0.00 H new ATOM 0 HA VAL A 43 6.106 1.149 7.546 1.00 0.00 H new ATOM 0 HB VAL A 43 5.034 2.141 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.031 0.615 5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.507 -0.141 6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.295 0.538 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.724 3.012 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.923 3.061 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.930 4.098 6.438 1.00 0.00 H new ATOM 631 N ARG A 44 7.848 2.758 6.931 1.00 0.00 N ATOM 632 CA ARG A 44 9.030 3.621 6.850 1.00 0.00 C ATOM 633 C ARG A 44 9.730 3.579 5.481 1.00 0.00 C ATOM 634 O ARG A 44 10.765 4.219 5.300 1.00 0.00 O ATOM 635 CB ARG A 44 10.003 3.206 7.973 1.00 0.00 C ATOM 636 CG ARG A 44 10.875 4.358 8.504 1.00 0.00 C ATOM 637 CD ARG A 44 10.255 5.003 9.751 1.00 0.00 C ATOM 638 NE ARG A 44 8.893 5.470 9.475 1.00 0.00 N ATOM 639 CZ ARG A 44 7.842 5.380 10.300 1.00 0.00 C ATOM 640 NH1 ARG A 44 7.973 5.122 11.604 1.00 0.00 N ATOM 641 NH2 ARG A 44 6.617 5.541 9.810 1.00 0.00 N ATOM 0 H ARG A 44 8.046 1.787 6.691 1.00 0.00 H new ATOM 0 HA ARG A 44 8.704 4.654 6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.430 2.787 8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.653 2.413 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.870 3.982 8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.998 5.111 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.238 4.282 10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.872 5.840 10.077 1.00 0.00 H new ATOM 0 HE ARG A 44 8.730 5.905 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.900 4.985 12.006 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.146 5.062 12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.486 5.731 8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.808 5.475 10.428 1.00 0.00 H new ATOM 655 N VAL A 45 9.189 2.849 4.500 1.00 0.00 N ATOM 656 CA VAL A 45 9.764 2.769 3.158 1.00 0.00 C ATOM 657 C VAL A 45 9.412 4.029 2.352 1.00 0.00 C ATOM 658 O VAL A 45 8.697 3.973 1.351 1.00 0.00 O ATOM 659 CB VAL A 45 9.363 1.446 2.470 1.00 0.00 C ATOM 660 CG1 VAL A 45 10.058 0.267 3.167 1.00 0.00 C ATOM 661 CG2 VAL A 45 7.853 1.169 2.437 1.00 0.00 C ATOM 0 H VAL A 45 8.339 2.297 4.617 1.00 0.00 H new ATOM 0 HA VAL A 45 10.852 2.747 3.222 1.00 0.00 H new ATOM 0 HB VAL A 45 9.683 1.554 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.772 -0.664 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.139 0.393 3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.757 0.235 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.668 0.219 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.469 1.121 3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.348 1.969 1.896 1.00 0.00 H new ATOM 671 N CYS A 46 9.915 5.184 2.797 1.00 0.00 N ATOM 672 CA CYS A 46 9.543 6.477 2.233 1.00 0.00 C ATOM 673 C CYS A 46 10.127 6.668 0.826 1.00 0.00 C ATOM 674 O CYS A 46 11.167 7.300 0.663 1.00 0.00 O ATOM 675 CB CYS A 46 9.895 7.638 3.184 1.00 0.00 C ATOM 676 SG CYS A 46 8.495 8.307 4.129 1.00 0.00 S ATOM 0 H CYS A 46 10.591 5.245 3.558 1.00 0.00 H new ATOM 0 HA CYS A 46 8.459 6.488 2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.657 7.296 3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.338 8.445 2.600 1.00 0.00 H new ATOM 681 N HIS A 47 9.444 6.141 -0.198 1.00 0.00 N ATOM 682 CA HIS A 47 9.761 6.360 -1.606 1.00 0.00 C ATOM 683 C HIS A 47 8.522 6.776 -2.413 1.00 0.00 C ATOM 684 O HIS A 47 7.399 6.463 -2.048 1.00 0.00 O ATOM 685 CB HIS A 47 10.383 5.088 -2.194 1.00 0.00 C ATOM 686 CG HIS A 47 9.400 3.951 -2.323 1.00 0.00 C ATOM 687 ND1 HIS A 47 8.339 3.904 -3.198 1.00 0.00 N ATOM 688 CD2 HIS A 47 9.356 2.816 -1.556 1.00 0.00 C ATOM 689 CE1 HIS A 47 7.681 2.762 -2.962 1.00 0.00 C ATOM 690 NE2 HIS A 47 8.254 2.060 -1.972 1.00 0.00 N ATOM 0 H HIS A 47 8.635 5.535 -0.061 1.00 0.00 H new ATOM 0 HA HIS A 47 10.476 7.180 -1.670 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.798 5.315 -3.176 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.213 4.772 -1.563 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.099 4.608 -3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.048 2.552 -0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.800 2.446 -3.501 1.00 0.00 H new ATOM 698 N GLN A 48 8.756 7.453 -3.533 1.00 0.00 N ATOM 699 CA GLN A 48 7.815 7.936 -4.554 1.00 0.00 C ATOM 700 C GLN A 48 6.404 7.326 -4.496 1.00 0.00 C ATOM 701 O GLN A 48 6.245 6.114 -4.670 1.00 0.00 O ATOM 702 CB GLN A 48 8.414 7.747 -5.960 1.00 0.00 C ATOM 703 CG GLN A 48 9.921 8.033 -6.073 1.00 0.00 C ATOM 704 CD GLN A 48 10.373 9.229 -5.240 1.00 0.00 C ATOM 705 OE1 GLN A 48 10.959 9.037 -4.177 1.00 0.00 O ATOM 706 NE2 GLN A 48 10.054 10.447 -5.653 1.00 0.00 N ATOM 0 H GLN A 48 9.712 7.707 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 48 7.676 8.993 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.230 6.722 -6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.884 8.399 -6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.476 7.149 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.172 8.211 -7.118 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.567 10.573 -6.541 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.295 11.258 -5.083 1.00 0.00 H new ATOM 715 N ASP A 49 5.386 8.173 -4.293 1.00 0.00 N ATOM 716 CA ASP A 49 3.983 7.791 -4.189 1.00 0.00 C ATOM 717 C ASP A 49 3.108 9.027 -4.413 1.00 0.00 C ATOM 718 O ASP A 49 3.539 10.134 -4.094 1.00 0.00 O ATOM 719 CB ASP A 49 3.755 7.256 -2.776 1.00 0.00 C ATOM 720 CG ASP A 49 2.354 6.695 -2.545 1.00 0.00 C ATOM 721 OD1 ASP A 49 1.444 7.504 -2.265 1.00 0.00 O ATOM 722 OD2 ASP A 49 2.219 5.456 -2.630 1.00 0.00 O ATOM 0 H ASP A 49 5.529 9.178 -4.194 1.00 0.00 H new ATOM 0 HA ASP A 49 3.729 7.035 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.487 6.474 -2.572 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.937 8.058 -2.061 1.00 0.00 H new ATOM 727 N CYS A 50 1.883 8.867 -4.924 1.00 0.00 N ATOM 728 CA CYS A 50 0.921 9.961 -4.957 1.00 0.00 C ATOM 729 C CYS A 50 0.110 9.974 -3.658 1.00 0.00 C ATOM 730 O CYS A 50 -0.853 9.225 -3.520 1.00 0.00 O ATOM 731 CB CYS A 50 0.073 9.927 -6.230 1.00 0.00 C ATOM 732 SG CYS A 50 -0.719 11.527 -6.505 1.00 0.00 S ATOM 0 H CYS A 50 1.540 7.991 -5.318 1.00 0.00 H new ATOM 0 HA CYS A 50 1.449 10.913 -5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.700 9.673 -7.085 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.685 9.148 -6.148 1.00 0.00 H new ATOM 737 N VAL A 51 0.544 10.783 -2.685 1.00 0.00 N ATOM 738 CA VAL A 51 0.041 10.795 -1.315 1.00 0.00 C ATOM 739 C VAL A 51 -1.196 11.692 -1.178 1.00 0.00 C ATOM 740 O VAL A 51 -1.597 12.325 -2.143 1.00 0.00 O ATOM 741 CB VAL A 51 1.165 11.148 -0.325 1.00 0.00 C ATOM 742 CG1 VAL A 51 2.418 10.293 -0.561 1.00 0.00 C ATOM 743 CG2 VAL A 51 1.524 12.639 -0.357 1.00 0.00 C ATOM 0 H VAL A 51 1.282 11.470 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.294 9.790 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 51 0.777 10.923 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.189 10.572 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.169 9.239 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.787 10.460 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.322 12.837 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.859 12.911 -1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.647 13.230 -0.095 1.00 0.00 H new ATOM 753 N CYS A 52 -1.824 11.754 0.000 1.00 0.00 N ATOM 754 CA CYS A 52 -3.108 12.432 0.188 1.00 0.00 C ATOM 755 C CYS A 52 -2.954 13.953 0.084 1.00 0.00 C ATOM 756 O CYS A 52 -1.994 14.500 0.627 1.00 0.00 O ATOM 757 CB CYS A 52 -3.684 12.031 1.550 1.00 0.00 C ATOM 758 SG CYS A 52 -5.450 12.329 1.747 1.00 0.00 S ATOM 0 H CYS A 52 -1.454 11.334 0.852 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.794 12.127 -0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.489 10.971 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.150 12.576 2.328 1.00 0.00 H new ATOM 763 N GLU A 53 -3.858 14.650 -0.621 1.00 0.00 N ATOM 764 CA GLU A 53 -3.721 16.098 -0.788 1.00 0.00 C ATOM 765 C GLU A 53 -3.795 16.849 0.552 1.00 0.00 C ATOM 766 O GLU A 53 -4.518 16.459 1.473 1.00 0.00 O ATOM 767 CB GLU A 53 -4.723 16.660 -1.814 1.00 0.00 C ATOM 768 CG GLU A 53 -4.067 16.976 -3.167 1.00 0.00 C ATOM 769 CD GLU A 53 -3.205 18.241 -3.149 1.00 0.00 C ATOM 770 OE1 GLU A 53 -2.828 18.674 -2.037 1.00 0.00 O ATOM 771 OE2 GLU A 53 -2.934 18.752 -4.255 1.00 0.00 O ATOM 0 H GLU A 53 -4.675 14.241 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.723 16.269 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.527 15.940 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.177 17.566 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.450 16.130 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.846 17.087 -3.922 1.00 0.00 H new ATOM 778 N GLU A 54 -3.043 17.952 0.630 1.00 0.00 N ATOM 779 CA GLU A 54 -2.833 18.747 1.830 1.00 0.00 C ATOM 780 C GLU A 54 -4.119 19.489 2.201 1.00 0.00 C ATOM 781 O GLU A 54 -4.288 20.668 1.899 1.00 0.00 O ATOM 782 CB GLU A 54 -1.646 19.695 1.607 1.00 0.00 C ATOM 783 CG GLU A 54 -1.194 20.371 2.910 1.00 0.00 C ATOM 784 CD GLU A 54 0.044 21.232 2.682 1.00 0.00 C ATOM 785 OE1 GLU A 54 1.101 20.633 2.386 1.00 0.00 O ATOM 786 OE2 GLU A 54 -0.088 22.469 2.806 1.00 0.00 O ATOM 0 H GLU A 54 -2.546 18.325 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.588 18.102 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.812 19.137 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.924 20.459 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.002 20.988 3.302 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.979 19.611 3.662 1.00 0.00 H new ATOM 793 N GLY A 55 -5.026 18.773 2.857 1.00 0.00 N ATOM 794 CA GLY A 55 -6.354 19.254 3.205 1.00 0.00 C ATOM 795 C GLY A 55 -7.276 18.080 3.520 1.00 0.00 C ATOM 796 O GLY A 55 -8.220 18.214 4.299 1.00 0.00 O ATOM 0 H GLY A 55 -4.851 17.818 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.293 19.919 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.765 19.837 2.381 1.00 0.00 H new ATOM 800 N PHE A 56 -6.994 16.919 2.923 1.00 0.00 N ATOM 801 CA PHE A 56 -7.722 15.693 3.171 1.00 0.00 C ATOM 802 C PHE A 56 -6.891 14.793 4.080 1.00 0.00 C ATOM 803 O PHE A 56 -5.689 15.007 4.221 1.00 0.00 O ATOM 804 CB PHE A 56 -8.001 15.024 1.834 1.00 0.00 C ATOM 805 CG PHE A 56 -8.660 15.945 0.831 1.00 0.00 C ATOM 806 CD1 PHE A 56 -10.019 16.284 0.949 1.00 0.00 C ATOM 807 CD2 PHE A 56 -7.889 16.510 -0.198 1.00 0.00 C ATOM 808 CE1 PHE A 56 -10.627 17.095 -0.023 1.00 0.00 C ATOM 809 CE2 PHE A 56 -8.491 17.331 -1.165 1.00 0.00 C ATOM 810 CZ PHE A 56 -9.867 17.611 -1.087 1.00 0.00 C ATOM 0 H PHE A 56 -6.240 16.813 2.245 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.670 15.894 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.064 14.655 1.417 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -8.641 14.157 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.595 15.921 1.787 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.828 16.312 -0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.680 17.323 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.899 17.747 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.339 18.221 -1.843 1.00 0.00 H new ATOM 820 N TYR A 57 -7.533 13.796 4.690 1.00 0.00 N ATOM 821 CA TYR A 57 -6.904 12.804 5.539 1.00 0.00 C ATOM 822 C TYR A 57 -7.372 11.421 5.118 1.00 0.00 C ATOM 823 O TYR A 57 -8.500 11.258 4.657 1.00 0.00 O ATOM 824 CB TYR A 57 -7.275 13.035 7.007 1.00 0.00 C ATOM 825 CG TYR A 57 -6.578 14.211 7.648 1.00 0.00 C ATOM 826 CD1 TYR A 57 -6.998 15.523 7.369 1.00 0.00 C ATOM 827 CD2 TYR A 57 -5.511 13.991 8.535 1.00 0.00 C ATOM 828 CE1 TYR A 57 -6.370 16.612 7.992 1.00 0.00 C ATOM 829 CE2 TYR A 57 -4.921 15.076 9.205 1.00 0.00 C ATOM 830 CZ TYR A 57 -5.358 16.387 8.939 1.00 0.00 C ATOM 831 OH TYR A 57 -4.758 17.449 9.546 1.00 0.00 O ATOM 0 H TYR A 57 -8.540 13.659 4.598 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.822 12.886 5.434 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.352 13.184 7.078 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.040 12.135 7.575 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.806 15.693 6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.145 12.989 8.702 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.664 17.621 7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.133 14.904 9.923 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.080 17.126 10.175 1.00 0.00 H new ATOM 841 N ARG A 58 -6.515 10.420 5.303 1.00 0.00 N ATOM 842 CA ARG A 58 -6.872 9.032 5.085 1.00 0.00 C ATOM 843 C ARG A 58 -7.891 8.630 6.148 1.00 0.00 C ATOM 844 O ARG A 58 -7.483 8.177 7.215 1.00 0.00 O ATOM 845 CB ARG A 58 -5.643 8.126 5.227 1.00 0.00 C ATOM 846 CG ARG A 58 -4.412 8.533 4.413 1.00 0.00 C ATOM 847 CD ARG A 58 -3.242 7.601 4.773 1.00 0.00 C ATOM 848 NE ARG A 58 -3.686 6.200 4.912 1.00 0.00 N ATOM 849 CZ ARG A 58 -3.717 5.276 3.944 1.00 0.00 C ATOM 850 NH1 ARG A 58 -2.860 5.328 2.922 1.00 0.00 N ATOM 851 NH2 ARG A 58 -4.629 4.300 4.000 1.00 0.00 N ATOM 0 H ARG A 58 -5.552 10.555 5.609 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.279 8.921 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.362 8.090 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.927 7.114 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.629 8.471 3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.147 9.569 4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.474 7.665 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.785 7.933 5.706 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.000 5.907 5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.171 6.078 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.894 4.618 2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.292 4.265 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.662 3.590 3.268 1.00 0.00 H new ATOM 865 N ASN A 59 -9.194 8.781 5.884 1.00 0.00 N ATOM 866 CA ASN A 59 -10.219 8.334 6.827 1.00 0.00 C ATOM 867 C ASN A 59 -9.962 6.882 7.234 1.00 0.00 C ATOM 868 O ASN A 59 -10.036 6.548 8.413 1.00 0.00 O ATOM 869 CB ASN A 59 -11.621 8.518 6.243 1.00 0.00 C ATOM 870 CG ASN A 59 -12.678 7.841 7.107 1.00 0.00 C ATOM 871 OD1 ASN A 59 -12.665 7.963 8.325 1.00 0.00 O ATOM 872 ND2 ASN A 59 -13.592 7.098 6.492 1.00 0.00 N ATOM 0 H ASN A 59 -9.559 9.206 5.032 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.163 8.951 7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.845 9.581 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.654 8.105 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.305 6.613 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.580 7.013 5.476 1.00 0.00 H new ATOM 879 N LYS A 60 -9.648 6.031 6.255 1.00 0.00 N ATOM 880 CA LYS A 60 -9.158 4.682 6.504 1.00 0.00 C ATOM 881 C LYS A 60 -8.447 4.141 5.258 1.00 0.00 C ATOM 882 O LYS A 60 -7.266 4.419 5.035 1.00 0.00 O ATOM 883 CB LYS A 60 -10.254 3.753 7.073 1.00 0.00 C ATOM 884 CG LYS A 60 -11.679 4.065 6.585 1.00 0.00 C ATOM 885 CD LYS A 60 -12.692 2.963 6.934 1.00 0.00 C ATOM 886 CE LYS A 60 -13.282 3.066 8.351 1.00 0.00 C ATOM 887 NZ LYS A 60 -12.305 2.767 9.411 1.00 0.00 N ATOM 0 H LYS A 60 -9.728 6.263 5.265 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.410 4.718 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.012 2.724 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.235 3.816 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.009 5.006 7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.663 4.207 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.507 2.994 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.207 1.993 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.675 4.072 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.124 2.379 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.786 2.297 10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.565 2.140 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.872 3.652 9.744 1.00 0.00 H new ATOM 901 N ASP A 61 -9.170 3.404 4.411 1.00 0.00 N ATOM 902 CA ASP A 61 -8.626 2.766 3.216 1.00 0.00 C ATOM 903 C ASP A 61 -8.355 3.803 2.121 1.00 0.00 C ATOM 904 O ASP A 61 -9.074 3.873 1.129 1.00 0.00 O ATOM 905 CB ASP A 61 -9.592 1.667 2.749 1.00 0.00 C ATOM 906 CG ASP A 61 -9.111 0.974 1.475 1.00 0.00 C ATOM 907 OD1 ASP A 61 -7.884 0.763 1.364 1.00 0.00 O ATOM 908 OD2 ASP A 61 -9.985 0.662 0.638 1.00 0.00 O ATOM 0 H ASP A 61 -10.167 3.233 4.541 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.667 2.303 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.707 0.927 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.576 2.102 2.574 1.00 0.00 H new ATOM 913 N ASP A 62 -7.313 4.615 2.317 1.00 0.00 N ATOM 914 CA ASP A 62 -6.901 5.740 1.477 1.00 0.00 C ATOM 915 C ASP A 62 -8.081 6.626 1.047 1.00 0.00 C ATOM 916 O ASP A 62 -8.035 7.297 0.018 1.00 0.00 O ATOM 917 CB ASP A 62 -6.129 5.204 0.255 1.00 0.00 C ATOM 918 CG ASP A 62 -4.861 4.437 0.630 1.00 0.00 C ATOM 919 OD1 ASP A 62 -4.977 3.402 1.324 1.00 0.00 O ATOM 920 OD2 ASP A 62 -3.770 4.907 0.238 1.00 0.00 O ATOM 0 H ASP A 62 -6.695 4.495 3.120 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.249 6.382 2.069 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.784 4.550 -0.322 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.862 6.039 -0.392 1.00 0.00 H new ATOM 925 N LYS A 63 -9.121 6.691 1.882 1.00 0.00 N ATOM 926 CA LYS A 63 -10.274 7.540 1.649 1.00 0.00 C ATOM 927 C LYS A 63 -9.915 8.954 2.107 1.00 0.00 C ATOM 928 O LYS A 63 -10.170 9.324 3.252 1.00 0.00 O ATOM 929 CB LYS A 63 -11.504 6.965 2.369 1.00 0.00 C ATOM 930 CG LYS A 63 -11.857 5.521 1.976 1.00 0.00 C ATOM 931 CD LYS A 63 -12.007 5.320 0.460 1.00 0.00 C ATOM 932 CE LYS A 63 -12.386 3.877 0.104 1.00 0.00 C ATOM 933 NZ LYS A 63 -13.700 3.490 0.646 1.00 0.00 N ATOM 0 H LYS A 63 -9.179 6.148 2.744 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.535 7.579 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.330 7.003 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.362 7.604 2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.082 4.851 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.788 5.236 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.769 5.999 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.071 5.581 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.396 3.764 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.624 3.199 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.987 2.576 0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.638 3.407 1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.404 4.214 0.399 1.00 0.00 H new ATOM 947 N CYS A 64 -9.277 9.711 1.212 1.00 0.00 N ATOM 948 CA CYS A 64 -8.877 11.096 1.429 1.00 0.00 C ATOM 949 C CYS A 64 -10.101 11.993 1.639 1.00 0.00 C ATOM 950 O CYS A 64 -10.664 12.496 0.670 1.00 0.00 O ATOM 951 CB CYS A 64 -8.019 11.592 0.254 1.00 0.00 C ATOM 952 SG CYS A 64 -6.290 11.077 0.307 1.00 0.00 S ATOM 0 H CYS A 64 -9.018 9.363 0.289 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.275 11.145 2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.461 11.235 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.058 12.681 0.228 1.00 0.00 H new ATOM 957 N VAL A 65 -10.482 12.250 2.895 1.00 0.00 N ATOM 958 CA VAL A 65 -11.487 13.244 3.272 1.00 0.00 C ATOM 959 C VAL A 65 -10.982 14.001 4.506 1.00 0.00 C ATOM 960 O VAL A 65 -10.204 13.451 5.279 1.00 0.00 O ATOM 961 CB VAL A 65 -12.865 12.599 3.503 1.00 0.00 C ATOM 962 CG1 VAL A 65 -13.456 12.058 2.195 1.00 0.00 C ATOM 963 CG2 VAL A 65 -12.820 11.468 4.536 1.00 0.00 C ATOM 0 H VAL A 65 -10.088 11.758 3.697 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.629 13.952 2.456 1.00 0.00 H new ATOM 0 HB VAL A 65 -13.503 13.393 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -14.429 11.609 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -13.572 12.875 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.788 11.305 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.818 11.049 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.139 10.689 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.470 11.861 5.491 1.00 0.00 H new ATOM 973 N SER A 66 -11.338 15.277 4.664 1.00 0.00 N ATOM 974 CA SER A 66 -10.749 16.149 5.676 1.00 0.00 C ATOM 975 C SER A 66 -10.950 15.654 7.112 1.00 0.00 C ATOM 976 O SER A 66 -11.831 14.837 7.376 1.00 0.00 O ATOM 977 CB SER A 66 -11.287 17.564 5.463 1.00 0.00 C ATOM 978 OG SER A 66 -11.007 17.942 4.129 1.00 0.00 O ATOM 0 H SER A 66 -12.046 15.734 4.090 1.00 0.00 H new ATOM 0 HA SER A 66 -9.667 16.143 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.360 17.596 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.820 18.258 6.162 1.00 0.00 H new ATOM 0 HG SER A 66 -10.043 18.080 4.024 1.00 0.00 H new ATOM 984 N ALA A 67 -10.123 16.171 8.035 1.00 0.00 N ATOM 985 CA ALA A 67 -10.081 15.800 9.449 1.00 0.00 C ATOM 986 C ALA A 67 -11.486 15.638 10.024 1.00 0.00 C ATOM 987 O ALA A 67 -11.800 14.630 10.645 1.00 0.00 O ATOM 988 CB ALA A 67 -9.305 16.853 10.246 1.00 0.00 C ATOM 0 H ALA A 67 -9.438 16.889 7.801 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.572 14.839 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.280 16.568 11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.287 16.921 9.864 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.796 17.821 10.145 1.00 0.00 H new ATOM 994 N GLU A 68 -12.332 16.632 9.760 1.00 0.00 N ATOM 995 CA GLU A 68 -13.738 16.653 10.127 1.00 0.00 C ATOM 996 C GLU A 68 -14.415 15.321 9.781 1.00 0.00 C ATOM 997 O GLU A 68 -15.002 14.666 10.638 1.00 0.00 O ATOM 998 CB GLU A 68 -14.436 17.822 9.404 1.00 0.00 C ATOM 999 CG GLU A 68 -13.629 19.132 9.399 1.00 0.00 C ATOM 1000 CD GLU A 68 -13.136 19.519 10.789 1.00 0.00 C ATOM 1001 OE1 GLU A 68 -14.002 19.847 11.628 1.00 0.00 O ATOM 1002 OE2 GLU A 68 -11.902 19.470 10.983 1.00 0.00 O ATOM 0 H GLU A 68 -12.041 17.475 9.265 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.821 16.795 11.205 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.638 17.529 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.400 18.004 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.775 19.026 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.249 19.935 9.000 1.00 0.00 H new ATOM 1009 N ASP A 69 -14.321 14.927 8.511 1.00 0.00 N ATOM 1010 CA ASP A 69 -14.955 13.732 7.974 1.00 0.00 C ATOM 1011 C ASP A 69 -14.303 12.497 8.585 1.00 0.00 C ATOM 1012 O ASP A 69 -14.993 11.606 9.070 1.00 0.00 O ATOM 1013 CB ASP A 69 -14.814 13.709 6.446 1.00 0.00 C ATOM 1014 CG ASP A 69 -15.330 14.985 5.792 1.00 0.00 C ATOM 1015 OD1 ASP A 69 -14.512 15.921 5.664 1.00 0.00 O ATOM 1016 OD2 ASP A 69 -16.528 15.000 5.436 1.00 0.00 O ATOM 0 H ASP A 69 -13.788 15.446 7.813 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.016 13.737 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.765 13.569 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.360 12.854 6.047 1.00 0.00 H new ATOM 1021 N CYS A 70 -12.966 12.466 8.561 1.00 0.00 N ATOM 1022 CA CYS A 70 -12.142 11.444 9.204 1.00 0.00 C ATOM 1023 C CYS A 70 -12.662 11.131 10.611 1.00 0.00 C ATOM 1024 O CYS A 70 -12.920 9.977 10.943 1.00 0.00 O ATOM 1025 CB CYS A 70 -10.673 11.907 9.214 1.00 0.00 C ATOM 1026 SG CYS A 70 -9.738 11.680 10.752 1.00 0.00 S ATOM 0 H CYS A 70 -12.413 13.174 8.078 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.201 10.515 8.638 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -10.147 11.378 8.419 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.652 12.967 8.960 1.00 0.00 H new ATOM 1031 N GLU A 71 -12.853 12.167 11.426 1.00 0.00 N ATOM 1032 CA GLU A 71 -13.361 12.033 12.777 1.00 0.00 C ATOM 1033 C GLU A 71 -14.810 11.551 12.737 1.00 0.00 C ATOM 1034 O GLU A 71 -15.114 10.469 13.234 1.00 0.00 O ATOM 1035 CB GLU A 71 -13.219 13.377 13.501 1.00 0.00 C ATOM 1036 CG GLU A 71 -11.742 13.674 13.792 1.00 0.00 C ATOM 1037 CD GLU A 71 -11.551 15.089 14.327 1.00 0.00 C ATOM 1038 OE1 GLU A 71 -12.094 15.357 15.420 1.00 0.00 O ATOM 1039 OE2 GLU A 71 -10.881 15.880 13.627 1.00 0.00 O ATOM 0 H GLU A 71 -12.655 13.131 11.157 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.786 11.290 13.330 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.643 14.173 12.889 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.783 13.356 14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.361 12.955 14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.158 13.547 12.881 1.00 0.00 H new ATOM 1046 N LEU A 72 -15.702 12.353 12.147 1.00 0.00 N ATOM 1047 CA LEU A 72 -17.139 12.106 12.159 1.00 0.00 C ATOM 1048 C LEU A 72 -17.495 10.696 11.684 1.00 0.00 C ATOM 1049 O LEU A 72 -18.423 10.098 12.219 1.00 0.00 O ATOM 1050 CB LEU A 72 -17.868 13.161 11.315 1.00 0.00 C ATOM 1051 CG LEU A 72 -17.879 14.559 11.960 1.00 0.00 C ATOM 1052 CD1 LEU A 72 -18.283 15.599 10.909 1.00 0.00 C ATOM 1053 CD2 LEU A 72 -18.859 14.636 13.139 1.00 0.00 C ATOM 0 H LEU A 72 -15.439 13.200 11.643 1.00 0.00 H new ATOM 0 HA LEU A 72 -17.470 12.184 13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -17.393 13.224 10.336 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -18.896 12.837 11.150 1.00 0.00 H new ATOM 0 HG LEU A 72 -16.876 14.760 12.337 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -18.292 16.590 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -17.567 15.582 10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -19.278 15.365 10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -18.836 15.639 13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -19.867 14.413 12.789 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -18.570 13.911 13.900 1.00 0.00 H new ATOM 1065 N ASP A 73 -16.768 10.163 10.696 1.00 0.00 N ATOM 1066 CA ASP A 73 -16.996 8.819 10.175 1.00 0.00 C ATOM 1067 C ASP A 73 -16.921 7.752 11.273 1.00 0.00 C ATOM 1068 O ASP A 73 -17.611 6.738 11.199 1.00 0.00 O ATOM 1069 CB ASP A 73 -16.001 8.507 9.055 1.00 0.00 C ATOM 1070 CG ASP A 73 -16.322 7.168 8.396 1.00 0.00 C ATOM 1071 OD1 ASP A 73 -17.444 7.056 7.855 1.00 0.00 O ATOM 1072 OD2 ASP A 73 -15.435 6.288 8.410 1.00 0.00 O ATOM 0 H ASP A 73 -16.003 10.657 10.236 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.008 8.794 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -16.029 9.300 8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.989 8.484 9.459 1.00 0.00 H new ATOM 1077 N ASN A 74 -16.109 7.971 12.311 1.00 0.00 N ATOM 1078 CA ASN A 74 -16.138 7.122 13.494 1.00 0.00 C ATOM 1079 C ASN A 74 -17.317 7.563 14.363 1.00 0.00 C ATOM 1080 O ASN A 74 -17.135 8.076 15.464 1.00 0.00 O ATOM 1081 CB ASN A 74 -14.779 7.180 14.202 1.00 0.00 C ATOM 1082 CG ASN A 74 -14.634 6.234 15.400 1.00 0.00 C ATOM 1083 OD1 ASN A 74 -15.556 6.008 16.180 1.00 0.00 O ATOM 1084 ND2 ASN A 74 -13.435 5.703 15.611 1.00 0.00 N ATOM 0 H ASN A 74 -15.427 8.728 12.351 1.00 0.00 H new ATOM 0 HA ASN A 74 -16.294 6.073 13.243 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.998 6.948 13.478 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.606 8.201 14.541 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.277 5.106 16.423 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.672 5.893 14.961 1.00 0.00 H new ATOM 1091 N MET A 75 -18.543 7.347 13.869 1.00 0.00 N ATOM 1092 CA MET A 75 -19.762 7.640 14.619 1.00 0.00 C ATOM 1093 C MET A 75 -19.716 6.984 16.004 1.00 0.00 C ATOM 1094 O MET A 75 -20.249 7.527 16.967 1.00 0.00 O ATOM 1095 CB MET A 75 -21.009 7.139 13.870 1.00 0.00 C ATOM 1096 CG MET A 75 -21.454 8.029 12.700 1.00 0.00 C ATOM 1097 SD MET A 75 -20.499 7.964 11.163 1.00 0.00 S ATOM 1098 CE MET A 75 -20.734 6.245 10.660 1.00 0.00 C ATOM 0 H MET A 75 -18.713 6.965 12.939 1.00 0.00 H new ATOM 0 HA MET A 75 -19.823 8.723 14.729 1.00 0.00 H new ATOM 0 HB2 MET A 75 -20.811 6.136 13.491 1.00 0.00 H new ATOM 0 HB3 MET A 75 -21.833 7.055 14.579 1.00 0.00 H new ATOM 0 HG2 MET A 75 -22.486 7.773 12.461 1.00 0.00 H new ATOM 0 HG3 MET A 75 -21.454 9.062 13.049 1.00 0.00 H new ATOM 0 HE1 MET A 75 -20.387 6.115 9.635 1.00 0.00 H new ATOM 0 HE2 MET A 75 -20.165 5.591 11.321 1.00 0.00 H new ATOM 0 HE3 MET A 75 -21.792 5.990 10.720 1.00 0.00 H new ATOM 1108 N ASP A 76 -19.110 5.795 16.076 1.00 0.00 N ATOM 1109 CA ASP A 76 -19.060 4.966 17.268 1.00 0.00 C ATOM 1110 C ASP A 76 -18.545 5.741 18.487 1.00 0.00 C ATOM 1111 O ASP A 76 -19.202 5.744 19.525 1.00 0.00 O ATOM 1112 CB ASP A 76 -18.213 3.721 16.966 1.00 0.00 C ATOM 1113 CG ASP A 76 -18.253 2.674 18.076 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -19.283 2.607 18.780 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -17.254 1.930 18.175 1.00 0.00 O ATOM 0 H ASP A 76 -18.629 5.377 15.279 1.00 0.00 H new ATOM 0 HA ASP A 76 -20.070 4.652 17.531 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -18.564 3.269 16.038 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.179 4.026 16.802 1.00 0.00 H new ATOM 1120 N PHE A 77 -17.376 6.387 18.372 1.00 0.00 N ATOM 1121 CA PHE A 77 -16.737 7.051 19.511 1.00 0.00 C ATOM 1122 C PHE A 77 -15.838 8.231 19.128 1.00 0.00 C ATOM 1123 O PHE A 77 -15.749 9.203 19.876 1.00 0.00 O ATOM 1124 CB PHE A 77 -15.869 6.051 20.278 1.00 0.00 C ATOM 1125 CG PHE A 77 -16.589 4.943 21.017 1.00 0.00 C ATOM 1126 CD1 PHE A 77 -17.335 5.238 22.173 1.00 0.00 C ATOM 1127 CD2 PHE A 77 -16.391 3.605 20.636 1.00 0.00 C ATOM 1128 CE1 PHE A 77 -17.897 4.197 22.933 1.00 0.00 C ATOM 1129 CE2 PHE A 77 -16.960 2.564 21.389 1.00 0.00 C ATOM 1130 CZ PHE A 77 -17.711 2.859 22.540 1.00 0.00 C ATOM 0 H PHE A 77 -16.855 6.462 17.498 1.00 0.00 H new ATOM 0 HA PHE A 77 -17.559 7.436 20.114 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -15.176 5.593 19.573 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -15.270 6.606 21.000 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -17.476 6.265 22.477 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -15.800 3.376 19.762 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.472 4.425 23.819 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -16.820 1.538 21.084 1.00 0.00 H new ATOM 0 HZ PHE A 77 -18.145 2.059 23.122 1.00 0.00 H new ATOM 1140 N ILE A 78 -15.086 8.110 18.035 1.00 0.00 N ATOM 1141 CA ILE A 78 -14.021 9.022 17.624 1.00 0.00 C ATOM 1142 C ILE A 78 -12.814 8.921 18.567 1.00 0.00 C ATOM 1143 O ILE A 78 -11.739 8.511 18.136 1.00 0.00 O ATOM 1144 CB ILE A 78 -14.494 10.481 17.424 1.00 0.00 C ATOM 1145 CG1 ILE A 78 -15.803 10.551 16.621 1.00 0.00 C ATOM 1146 CG2 ILE A 78 -13.398 11.250 16.672 1.00 0.00 C ATOM 1147 CD1 ILE A 78 -16.308 11.980 16.400 1.00 0.00 C ATOM 0 H ILE A 78 -15.209 7.337 17.381 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.700 8.695 16.635 1.00 0.00 H new ATOM 0 HB ILE A 78 -14.680 10.921 18.403 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.652 10.074 15.653 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -16.571 9.979 17.142 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -13.715 12.282 16.522 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.477 11.234 17.255 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -13.223 10.780 15.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -17.235 11.954 15.827 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.491 12.454 17.364 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.558 12.550 15.852 1.00 0.00 H new ATOM 1159 N TYR A 79 -12.968 9.289 19.842 1.00 0.00 N ATOM 1160 CA TYR A 79 -11.864 9.335 20.804 1.00 0.00 C ATOM 1161 C TYR A 79 -12.085 8.489 22.068 1.00 0.00 C ATOM 1162 O TYR A 79 -11.280 7.594 22.318 1.00 0.00 O ATOM 1163 CB TYR A 79 -11.431 10.786 21.064 1.00 0.00 C ATOM 1164 CG TYR A 79 -10.791 11.449 19.854 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -9.645 10.876 19.265 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -11.377 12.584 19.262 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -9.153 11.369 18.046 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -10.857 13.100 18.061 1.00 0.00 C ATOM 1169 CZ TYR A 79 -9.789 12.450 17.418 1.00 0.00 C ATOM 1170 OH TYR A 79 -9.413 12.826 16.164 1.00 0.00 O ATOM 0 H TYR A 79 -13.867 9.565 20.238 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.014 8.834 20.341 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.300 11.368 21.371 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -10.726 10.804 21.895 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.143 10.054 19.754 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.226 13.059 19.730 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.284 10.916 17.592 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.279 13.997 17.632 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.098 12.042 15.668 1.00 0.00 H new ATOM 1180 N PRO A 80 -13.128 8.692 22.888 1.00 0.00 N ATOM 1181 CA PRO A 80 -13.291 7.919 24.118 1.00 0.00 C ATOM 1182 C PRO A 80 -13.573 6.416 23.929 1.00 0.00 C ATOM 1183 O PRO A 80 -13.827 5.733 24.918 1.00 0.00 O ATOM 1184 CB PRO A 80 -14.409 8.620 24.901 1.00 0.00 C ATOM 1185 CG PRO A 80 -15.191 9.368 23.822 1.00 0.00 C ATOM 1186 CD PRO A 80 -14.088 9.783 22.854 1.00 0.00 C ATOM 0 HA PRO A 80 -12.343 7.907 24.656 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -15.039 7.903 25.428 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.007 9.302 25.650 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.935 8.731 23.343 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.722 10.229 24.227 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.481 9.932 21.848 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -13.628 10.723 23.159 1.00 0.00 H new ATOM 1194 N GLY A 81 -13.492 5.849 22.718 1.00 0.00 N ATOM 1195 CA GLY A 81 -13.644 4.411 22.532 1.00 0.00 C ATOM 1196 C GLY A 81 -12.561 3.667 23.306 1.00 0.00 C ATOM 1197 O GLY A 81 -12.842 2.721 24.038 1.00 0.00 O ATOM 0 H GLY A 81 -13.322 6.369 21.857 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.629 4.094 22.874 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.580 4.164 21.472 1.00 0.00 H new ATOM 1201 N THR A 82 -11.321 4.153 23.222 1.00 0.00 N ATOM 1202 CA THR A 82 -10.206 3.670 24.021 1.00 0.00 C ATOM 1203 C THR A 82 -10.305 4.104 25.493 1.00 0.00 C ATOM 1204 O THR A 82 -9.335 3.937 26.232 1.00 0.00 O ATOM 1205 CB THR A 82 -8.911 4.182 23.362 1.00 0.00 C ATOM 1206 OG1 THR A 82 -9.145 5.447 22.768 1.00 0.00 O ATOM 1207 CG2 THR A 82 -8.466 3.224 22.255 1.00 0.00 C ATOM 0 H THR A 82 -11.065 4.906 22.584 1.00 0.00 H new ATOM 0 HA THR A 82 -10.217 2.580 24.044 1.00 0.00 H new ATOM 0 HB THR A 82 -8.142 4.253 24.131 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.079 6.146 23.451 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.550 3.597 21.797 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.283 2.237 22.680 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.247 3.154 21.498 1.00 0.00 H new ATOM 1215 N ARG A 83 -11.442 4.660 25.936 1.00 0.00 N ATOM 1216 CA ARG A 83 -11.657 5.261 27.245 1.00 0.00 C ATOM 1217 C ARG A 83 -10.824 6.540 27.341 1.00 0.00 C ATOM 1218 O ARG A 83 -11.370 7.641 27.357 1.00 0.00 O ATOM 1219 CB ARG A 83 -11.432 4.262 28.392 1.00 0.00 C ATOM 1220 CG ARG A 83 -12.144 2.918 28.166 1.00 0.00 C ATOM 1221 CD ARG A 83 -13.637 3.072 27.848 1.00 0.00 C ATOM 1222 NE ARG A 83 -14.340 1.788 27.977 1.00 0.00 N ATOM 1223 CZ ARG A 83 -14.452 0.839 27.034 1.00 0.00 C ATOM 1224 NH1 ARG A 83 -13.944 0.997 25.807 1.00 0.00 N ATOM 1225 NH2 ARG A 83 -15.091 -0.296 27.337 1.00 0.00 N ATOM 0 H ARG A 83 -12.278 4.701 25.353 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.704 5.543 27.357 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.363 4.085 28.508 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.786 4.702 29.324 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.657 2.389 27.347 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.030 2.300 29.056 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.082 3.803 28.523 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.759 3.457 26.835 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.788 1.599 28.874 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.454 1.858 25.565 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.046 0.256 25.113 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.482 -0.428 28.270 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.187 -1.030 26.635 1.00 0.00 H new ATOM 1239 N ASN A 84 -9.499 6.403 27.361 1.00 0.00 N ATOM 1240 CA ASN A 84 -8.607 7.539 27.211 1.00 0.00 C ATOM 1241 C ASN A 84 -8.824 8.066 25.788 1.00 0.00 C ATOM 1242 O ASN A 84 -8.905 7.251 24.866 1.00 0.00 O ATOM 1243 CB ASN A 84 -7.155 7.080 27.399 1.00 0.00 C ATOM 1244 CG ASN A 84 -6.186 8.256 27.493 1.00 0.00 C ATOM 1245 OD1 ASN A 84 -5.743 8.603 28.581 1.00 0.00 O ATOM 1246 ND2 ASN A 84 -5.838 8.897 26.379 1.00 0.00 N ATOM 0 H ASN A 84 -9.023 5.509 27.481 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.807 8.315 27.950 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.081 6.477 28.304 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.867 6.440 26.565 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.195 9.687 26.425 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.214 8.598 25.480 1.00 0.00 H new ATOM 1253 N PRO A 85 -8.935 9.384 25.571 1.00 0.00 N ATOM 1254 CA PRO A 85 -9.132 9.927 24.236 1.00 0.00 C ATOM 1255 C PRO A 85 -7.929 9.644 23.325 1.00 0.00 C ATOM 1256 O PRO A 85 -8.101 9.829 22.101 1.00 0.00 O ATOM 1257 CB PRO A 85 -9.377 11.426 24.435 1.00 0.00 C ATOM 1258 CG PRO A 85 -8.664 11.729 25.753 1.00 0.00 C ATOM 1259 CD PRO A 85 -8.877 10.449 26.559 1.00 0.00 C ATOM 1260 OXT PRO A 85 -6.861 9.264 23.858 1.00 0.00 O ATOM 0 HA PRO A 85 -9.977 9.459 23.731 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.968 12.013 23.613 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.441 11.655 24.492 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.605 11.939 25.601 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.092 12.597 26.254 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.062 10.288 27.265 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.798 10.498 27.140 1.00 0.00 H new TER 1268 PRO A 85