USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 398 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 11 GLN : amide:sc= 1.04 K(o=2.3,f=-0.62) USER MOD Set 1.2: A 48 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.12) USER MOD Set 2.1: A 30 GLN : amide:sc= 0.758 K(o=4.3,f=2.9) USER MOD Set 2.2: A 32 TYR OH : rot -21:sc= 2.18 USER MOD Set 2.3: A 40 LYS NZ :NH3+ 167:sc= 1.37 (180deg=-0.338) USER MOD Single : A 1 GLN : amide:sc= 0.85 K(o=0.85,f=-1.3) USER MOD Single : A 1 GLN N :NH3+ 164:sc= 2.52 (180deg=2.08) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 13 THR OG1 : rot -22:sc= 0.229 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0.511 (180deg=-0.249) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 76:sc= 0.116 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD Single : A 24 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-8.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -19:sc= 1.71 USER MOD Single : A 34 ASN : amide:sc= -2.86! C(o=-2.9!,f=-9.8!) USER MOD Single : A 35 LYS NZ :NH3+ 129:sc= 0.872 (180deg=-1.53!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 90:sc= -0.0277 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 2.93 (180deg=1.89) USER MOD Single : A 53 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-0.69) USER MOD Single : A 56 LYS NZ :NH3+ 137:sc= -2.22 (180deg=-3.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.611 11.746 9.847 1.00 0.00 N ATOM 2 CA GLN A 1 -0.397 13.183 9.994 1.00 0.00 C ATOM 3 C GLN A 1 0.991 13.412 10.492 1.00 0.00 C ATOM 4 O GLN A 1 1.492 12.613 11.277 1.00 0.00 O ATOM 5 CB GLN A 1 -1.435 13.824 10.924 1.00 0.00 C ATOM 6 CG GLN A 1 -2.800 14.022 10.278 1.00 0.00 C ATOM 7 CD GLN A 1 -2.701 14.893 9.033 1.00 0.00 C ATOM 8 OE1 GLN A 1 -1.818 15.732 8.930 1.00 0.00 O ATOM 9 NE2 GLN A 1 -3.597 14.720 8.106 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.630 11.553 9.767 1.00 0.00 H new ATOM 0 H2 GLN A 1 -0.126 11.409 8.991 1.00 0.00 H new ATOM 0 H3 GLN A 1 -0.229 11.251 10.678 1.00 0.00 H new ATOM 0 HA GLN A 1 -0.521 13.661 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -1.550 13.200 11.810 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -1.059 14.790 11.261 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -3.224 13.053 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -3.480 14.483 10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.321 14.011 8.222 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -3.576 15.293 7.263 1.00 0.00 H new ATOM 18 N GLY A 2 1.626 14.471 10.027 1.00 0.00 N ATOM 19 CA GLY A 2 3.020 14.704 10.353 1.00 0.00 C ATOM 20 C GLY A 2 3.881 13.811 9.493 1.00 0.00 C ATOM 21 O GLY A 2 4.496 14.255 8.539 1.00 0.00 O ATOM 0 H GLY A 2 1.203 15.179 9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.276 15.750 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.200 14.498 11.408 1.00 0.00 H new ATOM 25 N GLY A 3 3.868 12.544 9.814 1.00 0.00 N ATOM 26 CA GLY A 3 4.524 11.568 9.019 1.00 0.00 C ATOM 27 C GLY A 3 3.517 10.944 8.086 1.00 0.00 C ATOM 28 O GLY A 3 2.308 10.878 8.418 1.00 0.00 O ATOM 0 H GLY A 3 3.398 12.170 10.638 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.333 12.026 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.974 10.805 9.654 1.00 0.00 H new ATOM 32 N GLN A 4 3.969 10.500 6.936 1.00 0.00 N ATOM 33 CA GLN A 4 3.107 9.897 5.928 1.00 0.00 C ATOM 34 C GLN A 4 2.857 8.410 6.208 1.00 0.00 C ATOM 35 O GLN A 4 2.891 7.562 5.321 1.00 0.00 O ATOM 36 CB GLN A 4 3.702 10.143 4.544 1.00 0.00 C ATOM 37 CG GLN A 4 5.076 9.506 4.311 1.00 0.00 C ATOM 38 CD GLN A 4 5.634 9.804 2.932 1.00 0.00 C ATOM 39 OE1 GLN A 4 5.371 10.841 2.353 1.00 0.00 O ATOM 40 NE2 GLN A 4 6.402 8.890 2.397 1.00 0.00 N ATOM 0 H GLN A 4 4.951 10.544 6.665 1.00 0.00 H new ATOM 0 HA GLN A 4 2.126 10.370 5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.009 9.762 3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.784 11.218 4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 4 5.773 9.869 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.998 8.427 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.604 8.031 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.799 9.037 1.469 1.00 0.00 H new ATOM 49 N VAL A 5 2.564 8.140 7.431 1.00 0.00 N ATOM 50 CA VAL A 5 2.281 6.806 7.887 1.00 0.00 C ATOM 51 C VAL A 5 0.819 6.693 8.211 1.00 0.00 C ATOM 52 O VAL A 5 0.231 7.614 8.815 1.00 0.00 O ATOM 53 CB VAL A 5 3.073 6.455 9.163 1.00 0.00 C ATOM 54 CG1 VAL A 5 2.864 4.984 9.554 1.00 0.00 C ATOM 55 CG2 VAL A 5 4.540 6.791 8.984 1.00 0.00 C ATOM 0 H VAL A 5 2.511 8.847 8.164 1.00 0.00 H new ATOM 0 HA VAL A 5 2.570 6.120 7.090 1.00 0.00 H new ATOM 0 HB VAL A 5 2.694 7.060 9.986 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.433 4.763 10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.805 4.804 9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.205 4.340 8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.085 6.537 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.944 6.221 8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.647 7.857 8.782 1.00 0.00 H new ATOM 65 N ASP A 6 0.231 5.632 7.757 1.00 0.00 N ATOM 66 CA ASP A 6 -1.106 5.300 8.102 1.00 0.00 C ATOM 67 C ASP A 6 -1.106 3.872 8.565 1.00 0.00 C ATOM 68 O ASP A 6 -0.507 3.028 7.894 1.00 0.00 O ATOM 69 CB ASP A 6 -2.059 5.450 6.913 1.00 0.00 C ATOM 70 CG ASP A 6 -3.524 5.271 7.302 1.00 0.00 C ATOM 71 OD1 ASP A 6 -3.989 4.124 7.496 1.00 0.00 O ATOM 72 OD2 ASP A 6 -4.252 6.300 7.394 1.00 0.00 O ATOM 0 H ASP A 6 0.677 4.965 7.127 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.455 5.978 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.924 6.436 6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.798 4.717 6.150 1.00 0.00 H new ATOM 77 N CYS A 7 -1.642 3.645 9.763 1.00 0.00 N ATOM 78 CA CYS A 7 -1.951 2.344 10.336 1.00 0.00 C ATOM 79 C CYS A 7 -2.140 1.229 9.329 1.00 0.00 C ATOM 80 O CYS A 7 -1.538 0.180 9.497 1.00 0.00 O ATOM 81 CB CYS A 7 -3.149 2.485 11.260 1.00 0.00 C ATOM 82 SG CYS A 7 -2.876 3.669 12.634 1.00 0.00 S ATOM 0 H CYS A 7 -1.885 4.410 10.392 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.073 2.030 10.901 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.011 2.809 10.677 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.394 1.508 11.676 1.00 0.00 H new ATOM 87 N GLY A 8 -2.930 1.472 8.298 1.00 0.00 N ATOM 88 CA GLY A 8 -3.145 0.518 7.204 1.00 0.00 C ATOM 89 C GLY A 8 -3.606 -0.869 7.640 1.00 0.00 C ATOM 90 O GLY A 8 -4.787 -1.181 7.558 1.00 0.00 O ATOM 0 H GLY A 8 -3.449 2.343 8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.886 0.933 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.216 0.416 6.643 1.00 0.00 H new ATOM 94 N GLU A 9 -2.654 -1.680 8.106 1.00 0.00 N ATOM 95 CA GLU A 9 -2.893 -3.017 8.565 1.00 0.00 C ATOM 96 C GLU A 9 -3.649 -2.895 9.878 1.00 0.00 C ATOM 97 O GLU A 9 -4.579 -3.653 10.145 1.00 0.00 O ATOM 98 CB GLU A 9 -1.538 -3.706 8.702 1.00 0.00 C ATOM 99 CG GLU A 9 -1.561 -5.239 8.849 1.00 0.00 C ATOM 100 CD GLU A 9 -2.222 -5.695 10.118 1.00 0.00 C ATOM 101 OE1 GLU A 9 -1.889 -5.132 11.159 1.00 0.00 O ATOM 102 OE2 GLU A 9 -3.117 -6.569 10.071 1.00 0.00 O ATOM 0 H GLU A 9 -1.675 -1.401 8.169 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.492 -3.621 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.937 -3.456 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.028 -3.287 9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.084 -5.673 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.539 -5.617 8.822 1.00 0.00 H new ATOM 109 N PHE A 10 -3.212 -1.906 10.692 1.00 0.00 N ATOM 110 CA PHE A 10 -3.951 -1.410 11.830 1.00 0.00 C ATOM 111 C PHE A 10 -3.872 -2.305 13.034 1.00 0.00 C ATOM 112 O PHE A 10 -4.536 -2.076 14.042 1.00 0.00 O ATOM 113 CB PHE A 10 -5.331 -1.138 11.324 1.00 0.00 C ATOM 114 CG PHE A 10 -6.362 -0.440 12.166 1.00 0.00 C ATOM 115 CD1 PHE A 10 -6.334 0.932 12.331 1.00 0.00 C ATOM 116 CD2 PHE A 10 -7.416 -1.155 12.714 1.00 0.00 C ATOM 117 CE1 PHE A 10 -7.332 1.580 13.029 1.00 0.00 C ATOM 118 CE2 PHE A 10 -8.409 -0.516 13.423 1.00 0.00 C ATOM 119 CZ PHE A 10 -8.370 0.856 13.576 1.00 0.00 C ATOM 0 H PHE A 10 -2.317 -1.435 10.556 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.515 -0.492 12.224 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.222 -0.553 10.411 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.757 -2.100 11.038 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.521 1.504 11.908 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.459 -2.226 12.583 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.300 2.653 13.147 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.216 -1.086 13.858 1.00 0.00 H new ATOM 0 HZ PHE A 10 -9.152 1.361 14.124 1.00 0.00 H new ATOM 129 N GLN A 11 -3.087 -3.303 12.933 1.00 0.00 N ATOM 130 CA GLN A 11 -2.775 -4.118 14.053 1.00 0.00 C ATOM 131 C GLN A 11 -1.290 -4.233 14.207 1.00 0.00 C ATOM 132 O GLN A 11 -0.781 -4.759 15.211 1.00 0.00 O ATOM 133 CB GLN A 11 -3.313 -5.464 13.860 1.00 0.00 C ATOM 134 CG GLN A 11 -4.716 -5.498 13.381 1.00 0.00 C ATOM 135 CD GLN A 11 -5.219 -6.904 13.156 1.00 0.00 C ATOM 136 OE1 GLN A 11 -5.820 -7.544 14.071 1.00 0.00 O ATOM 137 NE2 GLN A 11 -4.936 -7.438 11.997 1.00 0.00 N ATOM 0 H GLN A 11 -2.634 -3.587 12.064 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.213 -3.659 14.940 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.684 -5.995 13.145 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.250 -6.006 14.803 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.356 -4.999 14.108 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.792 -4.936 12.450 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.451 -6.889 11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.200 -8.404 11.802 1.00 0.00 H new ATOM 146 N ASP A 12 -0.598 -3.748 13.255 1.00 0.00 N ATOM 147 CA ASP A 12 0.781 -3.881 13.292 1.00 0.00 C ATOM 148 C ASP A 12 1.423 -2.691 13.861 1.00 0.00 C ATOM 149 O ASP A 12 1.319 -1.580 13.372 1.00 0.00 O ATOM 150 CB ASP A 12 1.402 -4.298 11.999 1.00 0.00 C ATOM 151 CG ASP A 12 2.943 -4.385 12.074 1.00 0.00 C ATOM 152 OD1 ASP A 12 3.512 -4.722 13.164 1.00 0.00 O ATOM 153 OD2 ASP A 12 3.640 -4.111 11.075 1.00 0.00 O ATOM 0 H ASP A 12 -0.973 -3.256 12.444 1.00 0.00 H new ATOM 0 HA ASP A 12 0.970 -4.718 13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.002 -5.269 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.120 -3.589 11.221 1.00 0.00 H new ATOM 158 N THR A 13 2.093 -2.987 14.858 1.00 0.00 N ATOM 159 CA THR A 13 2.829 -2.151 15.743 1.00 0.00 C ATOM 160 C THR A 13 3.684 -1.036 15.082 1.00 0.00 C ATOM 161 O THR A 13 4.043 -0.053 15.754 1.00 0.00 O ATOM 162 CB THR A 13 3.741 -3.074 16.538 1.00 0.00 C ATOM 163 OG1 THR A 13 4.462 -3.950 15.629 1.00 0.00 O ATOM 164 CG2 THR A 13 2.954 -3.907 17.543 1.00 0.00 C ATOM 0 H THR A 13 2.170 -3.963 15.143 1.00 0.00 H new ATOM 0 HA THR A 13 2.103 -1.605 16.346 1.00 0.00 H new ATOM 0 HB THR A 13 4.446 -2.456 17.094 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.977 -4.010 14.779 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.637 -4.554 18.093 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.440 -3.246 18.241 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.221 -4.517 17.015 1.00 0.00 H new ATOM 172 N LYS A 14 3.998 -1.188 13.812 1.00 0.00 N ATOM 173 CA LYS A 14 4.851 -0.281 13.108 1.00 0.00 C ATOM 174 C LYS A 14 4.047 0.782 12.407 1.00 0.00 C ATOM 175 O LYS A 14 4.460 1.934 12.283 1.00 0.00 O ATOM 176 CB LYS A 14 5.596 -1.070 12.069 1.00 0.00 C ATOM 177 CG LYS A 14 6.231 -2.339 12.580 1.00 0.00 C ATOM 178 CD LYS A 14 6.903 -3.098 11.452 1.00 0.00 C ATOM 179 CE LYS A 14 7.131 -4.552 11.821 1.00 0.00 C ATOM 180 NZ LYS A 14 5.847 -5.257 12.043 1.00 0.00 N ATOM 0 H LYS A 14 3.657 -1.961 13.240 1.00 0.00 H new ATOM 0 HA LYS A 14 5.526 0.201 13.815 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.909 -1.323 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.373 -0.438 11.640 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.964 -2.099 13.350 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.473 -2.968 13.046 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.286 -3.041 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.857 -2.628 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.689 -5.048 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.741 -4.610 12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.007 -6.284 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.456 -4.984 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.175 -4.998 11.293 1.00 0.00 H new ATOM 194 N VAL A 15 2.907 0.393 11.998 1.00 0.00 N ATOM 195 CA VAL A 15 2.090 1.159 11.165 1.00 0.00 C ATOM 196 C VAL A 15 1.031 1.868 11.976 1.00 0.00 C ATOM 197 O VAL A 15 0.010 1.278 12.319 1.00 0.00 O ATOM 198 CB VAL A 15 1.381 0.273 10.144 1.00 0.00 C ATOM 199 CG1 VAL A 15 1.615 0.730 8.721 1.00 0.00 C ATOM 200 CG2 VAL A 15 1.641 -1.238 10.308 1.00 0.00 C ATOM 0 H VAL A 15 2.504 -0.510 12.249 1.00 0.00 H new ATOM 0 HA VAL A 15 2.726 1.883 10.655 1.00 0.00 H new ATOM 0 HB VAL A 15 0.322 0.404 10.366 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.089 0.066 8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.242 1.747 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.683 0.706 8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.097 -1.786 9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.708 -1.436 10.208 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.302 -1.561 11.292 1.00 0.00 H new ATOM 210 N TYR A 16 1.296 3.085 12.365 1.00 0.00 N ATOM 211 CA TYR A 16 0.333 3.834 13.085 1.00 0.00 C ATOM 212 C TYR A 16 0.210 5.279 12.677 1.00 0.00 C ATOM 213 O TYR A 16 1.012 5.798 11.919 1.00 0.00 O ATOM 214 CB TYR A 16 0.463 3.610 14.562 1.00 0.00 C ATOM 215 CG TYR A 16 1.815 3.936 15.171 1.00 0.00 C ATOM 216 CD1 TYR A 16 2.809 2.972 15.220 1.00 0.00 C ATOM 217 CD2 TYR A 16 2.082 5.180 15.730 1.00 0.00 C ATOM 218 CE1 TYR A 16 4.024 3.227 15.806 1.00 0.00 C ATOM 219 CE2 TYR A 16 3.306 5.446 16.313 1.00 0.00 C ATOM 220 CZ TYR A 16 4.272 4.460 16.346 1.00 0.00 C ATOM 221 OH TYR A 16 5.477 4.698 16.957 1.00 0.00 O ATOM 0 H TYR A 16 2.176 3.570 12.190 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.639 3.435 12.793 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.294 4.209 15.068 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.235 2.565 14.772 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.624 2.000 14.788 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.323 5.948 15.708 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.781 2.458 15.841 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.506 6.418 16.740 1.00 0.00 H new ATOM 0 HH TYR A 16 5.499 5.620 17.288 1.00 0.00 H new ATOM 231 N CYS A 17 -0.782 5.925 13.280 1.00 0.00 N ATOM 232 CA CYS A 17 -1.278 7.174 12.881 1.00 0.00 C ATOM 233 C CYS A 17 -1.943 7.125 11.516 1.00 0.00 C ATOM 234 O CYS A 17 -1.878 6.138 10.829 1.00 0.00 O ATOM 235 CB CYS A 17 -0.300 8.295 13.176 1.00 0.00 C ATOM 236 SG CYS A 17 -0.377 9.774 12.130 1.00 0.00 S ATOM 0 H CYS A 17 -1.264 5.547 14.096 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.122 7.451 13.512 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.448 8.607 14.210 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.709 7.887 13.108 1.00 0.00 H new ATOM 241 N THR A 18 -2.663 8.128 11.191 1.00 0.00 N ATOM 242 CA THR A 18 -3.460 8.113 10.026 1.00 0.00 C ATOM 243 C THR A 18 -3.567 9.471 9.421 1.00 0.00 C ATOM 244 O THR A 18 -3.040 10.477 9.956 1.00 0.00 O ATOM 245 CB THR A 18 -4.860 7.493 10.331 1.00 0.00 C ATOM 246 OG1 THR A 18 -5.699 7.488 9.204 1.00 0.00 O ATOM 247 CG2 THR A 18 -5.544 8.176 11.473 1.00 0.00 C ATOM 0 H THR A 18 -2.717 8.992 11.731 1.00 0.00 H new ATOM 0 HA THR A 18 -2.973 7.480 9.284 1.00 0.00 H new ATOM 0 HB THR A 18 -4.668 6.459 10.616 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.424 6.771 8.595 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.514 7.710 11.647 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.932 8.086 12.370 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.686 9.230 11.234 1.00 0.00 H new ATOM 255 N ARG A 19 -4.220 9.493 8.307 1.00 0.00 N ATOM 256 CA ARG A 19 -4.471 10.688 7.539 1.00 0.00 C ATOM 257 C ARG A 19 -5.470 11.550 8.297 1.00 0.00 C ATOM 258 O ARG A 19 -5.562 12.753 8.089 1.00 0.00 O ATOM 259 CB ARG A 19 -5.052 10.359 6.127 1.00 0.00 C ATOM 260 CG ARG A 19 -6.439 9.683 6.153 1.00 0.00 C ATOM 261 CD ARG A 19 -6.375 8.169 6.284 1.00 0.00 C ATOM 262 NE ARG A 19 -7.630 7.608 6.821 1.00 0.00 N ATOM 263 CZ ARG A 19 -7.803 6.324 7.214 1.00 0.00 C ATOM 264 NH1 ARG A 19 -6.789 5.449 7.141 1.00 0.00 N ATOM 265 NH2 ARG A 19 -8.947 5.961 7.788 1.00 0.00 N ATOM 0 H ARG A 19 -4.612 8.653 7.882 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.525 11.211 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.121 11.282 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.353 9.708 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.016 10.087 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.976 9.938 5.239 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.169 7.729 5.308 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.547 7.896 6.938 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.429 8.237 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.881 5.749 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.926 4.483 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.687 6.648 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.084 4.995 8.086 1.00 0.00 H new ATOM 279 N GLU A 20 -6.174 10.917 9.203 1.00 0.00 N ATOM 280 CA GLU A 20 -7.236 11.559 9.930 1.00 0.00 C ATOM 281 C GLU A 20 -6.761 12.405 11.117 1.00 0.00 C ATOM 282 O GLU A 20 -6.101 11.918 12.056 1.00 0.00 O ATOM 283 CB GLU A 20 -8.288 10.557 10.341 1.00 0.00 C ATOM 284 CG GLU A 20 -9.103 10.011 9.174 1.00 0.00 C ATOM 285 CD GLU A 20 -10.194 9.085 9.629 1.00 0.00 C ATOM 286 OE1 GLU A 20 -11.052 9.513 10.419 1.00 0.00 O ATOM 287 OE2 GLU A 20 -10.183 7.890 9.269 1.00 0.00 O ATOM 0 H GLU A 20 -6.025 9.940 9.456 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.685 12.272 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.805 9.726 10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.963 11.025 11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.541 10.841 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.442 9.482 8.488 1.00 0.00 H new ATOM 294 N SER A 21 -7.143 13.663 11.055 1.00 0.00 N ATOM 295 CA SER A 21 -6.851 14.705 12.044 1.00 0.00 C ATOM 296 C SER A 21 -8.039 14.856 13.005 1.00 0.00 C ATOM 297 O SER A 21 -8.185 15.835 13.712 1.00 0.00 O ATOM 298 CB SER A 21 -6.729 15.962 11.277 1.00 0.00 C ATOM 299 OG SER A 21 -5.795 15.805 10.218 1.00 0.00 O ATOM 0 H SER A 21 -7.697 14.016 10.274 1.00 0.00 H new ATOM 0 HA SER A 21 -5.955 14.465 12.616 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.701 16.246 10.874 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.409 16.769 11.936 1.00 0.00 H new ATOM 0 HG SER A 21 -5.725 16.644 9.717 1.00 0.00 H new ATOM 305 N ASN A 22 -8.828 13.865 12.979 1.00 0.00 N ATOM 306 CA ASN A 22 -10.089 13.739 13.733 1.00 0.00 C ATOM 307 C ASN A 22 -9.814 13.444 15.230 1.00 0.00 C ATOM 308 O ASN A 22 -9.328 12.370 15.543 1.00 0.00 O ATOM 309 CB ASN A 22 -10.863 12.561 13.116 1.00 0.00 C ATOM 310 CG ASN A 22 -12.305 12.410 13.588 1.00 0.00 C ATOM 311 OD1 ASN A 22 -12.669 12.776 14.688 1.00 0.00 O ATOM 312 ND2 ASN A 22 -13.130 11.838 12.745 1.00 0.00 N ATOM 0 H ASN A 22 -8.636 13.043 12.406 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.655 14.669 13.676 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.863 12.676 12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.327 11.639 13.339 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.105 11.690 13.006 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.797 11.541 11.828 1.00 0.00 H new ATOM 319 N PRO A 23 -10.104 14.401 16.152 1.00 0.00 N ATOM 320 CA PRO A 23 -9.883 14.233 17.626 1.00 0.00 C ATOM 321 C PRO A 23 -10.682 13.050 18.217 1.00 0.00 C ATOM 322 O PRO A 23 -11.834 12.828 17.847 1.00 0.00 O ATOM 323 CB PRO A 23 -10.388 15.559 18.207 1.00 0.00 C ATOM 324 CG PRO A 23 -10.322 16.519 17.074 1.00 0.00 C ATOM 325 CD PRO A 23 -10.663 15.726 15.850 1.00 0.00 C ATOM 0 HA PRO A 23 -8.841 14.012 17.858 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.406 15.463 18.586 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.767 15.888 19.041 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.024 17.341 17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.328 16.959 16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.739 15.682 15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.219 16.157 14.953 1.00 0.00 H new ATOM 333 N HIS A 24 -10.093 12.338 19.173 1.00 0.00 N ATOM 334 CA HIS A 24 -10.626 11.066 19.692 1.00 0.00 C ATOM 335 C HIS A 24 -10.188 10.866 21.092 1.00 0.00 C ATOM 336 O HIS A 24 -9.009 11.005 21.429 1.00 0.00 O ATOM 337 CB HIS A 24 -10.081 9.879 18.869 1.00 0.00 C ATOM 338 CG HIS A 24 -10.809 9.523 17.574 1.00 0.00 C ATOM 339 ND1 HIS A 24 -11.572 10.386 16.829 1.00 0.00 N ATOM 340 CD2 HIS A 24 -10.912 8.324 16.945 1.00 0.00 C ATOM 341 CE1 HIS A 24 -12.101 9.720 15.818 1.00 0.00 C ATOM 342 NE2 HIS A 24 -11.735 8.456 15.835 1.00 0.00 N ATOM 0 H HIS A 24 -9.222 12.625 19.619 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.713 11.110 19.627 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.041 10.091 18.622 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.084 8.997 19.509 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.708 11.378 17.023 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -10.429 7.411 17.259 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.750 10.157 15.073 1.00 0.00 H new ATOM 350 N CYS A 25 -11.113 10.561 21.888 1.00 0.00 N ATOM 351 CA CYS A 25 -10.865 10.134 23.208 1.00 0.00 C ATOM 352 C CYS A 25 -11.074 8.682 23.128 1.00 0.00 C ATOM 353 O CYS A 25 -12.186 8.238 22.982 1.00 0.00 O ATOM 354 CB CYS A 25 -11.827 10.746 24.216 1.00 0.00 C ATOM 355 SG CYS A 25 -11.336 10.425 25.961 1.00 0.00 S ATOM 0 H CYS A 25 -12.102 10.599 21.643 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.873 10.429 23.551 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -11.882 11.822 24.051 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -12.827 10.346 24.046 1.00 0.00 H new ATOM 360 N GLY A 26 -10.032 7.943 23.147 1.00 0.00 N ATOM 361 CA GLY A 26 -10.157 6.565 22.863 1.00 0.00 C ATOM 362 C GLY A 26 -10.498 5.750 24.030 1.00 0.00 C ATOM 363 O GLY A 26 -10.584 6.259 25.158 1.00 0.00 O ATOM 0 H GLY A 26 -9.087 8.265 23.355 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.923 6.429 22.100 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.219 6.204 22.441 1.00 0.00 H new ATOM 367 N SER A 27 -10.684 4.467 23.799 1.00 0.00 N ATOM 368 CA SER A 27 -10.877 3.564 24.890 1.00 0.00 C ATOM 369 C SER A 27 -9.499 3.294 25.581 1.00 0.00 C ATOM 370 O SER A 27 -9.387 2.510 26.503 1.00 0.00 O ATOM 371 CB SER A 27 -11.573 2.276 24.450 1.00 0.00 C ATOM 372 OG SER A 27 -12.810 2.579 23.826 1.00 0.00 O ATOM 0 H SER A 27 -10.704 4.039 22.873 1.00 0.00 H new ATOM 0 HA SER A 27 -11.546 4.022 25.618 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.934 1.726 23.760 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.740 1.631 25.313 1.00 0.00 H new ATOM 0 HG SER A 27 -13.247 1.748 23.546 1.00 0.00 H new ATOM 378 N ASP A 28 -8.467 4.026 25.064 1.00 0.00 N ATOM 379 CA ASP A 28 -7.111 4.179 25.614 1.00 0.00 C ATOM 380 C ASP A 28 -7.276 4.935 26.900 1.00 0.00 C ATOM 381 O ASP A 28 -6.434 4.950 27.775 1.00 0.00 O ATOM 382 CB ASP A 28 -6.306 5.025 24.569 1.00 0.00 C ATOM 383 CG ASP A 28 -4.823 5.306 24.860 1.00 0.00 C ATOM 384 OD1 ASP A 28 -4.523 6.088 25.760 1.00 0.00 O ATOM 385 OD2 ASP A 28 -3.940 4.833 24.079 1.00 0.00 O ATOM 0 H ASP A 28 -8.582 4.552 24.198 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.592 3.238 25.798 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.367 4.515 23.608 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.812 5.984 24.454 1.00 0.00 H new ATOM 390 N GLY A 29 -8.432 5.563 26.986 1.00 0.00 N ATOM 391 CA GLY A 29 -8.796 6.333 28.096 1.00 0.00 C ATOM 392 C GLY A 29 -8.539 7.743 27.793 1.00 0.00 C ATOM 393 O GLY A 29 -9.305 8.636 28.189 1.00 0.00 O ATOM 0 H GLY A 29 -9.142 5.534 26.254 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.850 6.183 28.331 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.227 6.025 28.973 1.00 0.00 H new ATOM 397 N GLN A 30 -7.518 7.927 27.018 1.00 0.00 N ATOM 398 CA GLN A 30 -6.998 9.216 26.716 1.00 0.00 C ATOM 399 C GLN A 30 -7.536 9.871 25.515 1.00 0.00 C ATOM 400 O GLN A 30 -8.062 9.235 24.593 1.00 0.00 O ATOM 401 CB GLN A 30 -5.522 9.194 26.678 1.00 0.00 C ATOM 402 CG GLN A 30 -5.038 8.761 27.965 1.00 0.00 C ATOM 403 CD GLN A 30 -3.540 8.621 28.041 1.00 0.00 C ATOM 404 OE1 GLN A 30 -2.836 9.551 28.414 1.00 0.00 O ATOM 405 NE2 GLN A 30 -3.041 7.489 27.636 1.00 0.00 N ATOM 0 H GLN A 30 -7.012 7.164 26.568 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.348 9.838 27.540 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.173 8.520 25.896 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.134 10.185 26.441 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.365 9.473 28.723 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.495 7.802 28.210 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.661 6.738 27.333 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.030 7.353 27.622 1.00 0.00 H new ATOM 414 N THR A 31 -7.426 11.155 25.552 1.00 0.00 N ATOM 415 CA THR A 31 -7.785 11.967 24.430 1.00 0.00 C ATOM 416 C THR A 31 -6.565 12.275 23.643 1.00 0.00 C ATOM 417 O THR A 31 -5.552 12.718 24.180 1.00 0.00 O ATOM 418 CB THR A 31 -8.460 13.293 24.792 1.00 0.00 C ATOM 419 OG1 THR A 31 -9.630 13.045 25.580 1.00 0.00 O ATOM 420 CG2 THR A 31 -8.842 14.064 23.502 1.00 0.00 C ATOM 0 H THR A 31 -7.085 11.676 26.360 1.00 0.00 H new ATOM 0 HA THR A 31 -8.513 11.384 23.865 1.00 0.00 H new ATOM 0 HB THR A 31 -7.764 13.899 25.372 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.908 12.112 25.468 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.321 15.006 23.769 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.943 14.267 22.920 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.530 13.462 22.909 1.00 0.00 H new ATOM 428 N TYR A 32 -6.654 12.028 22.401 1.00 0.00 N ATOM 429 CA TYR A 32 -5.635 12.336 21.523 1.00 0.00 C ATOM 430 C TYR A 32 -6.141 13.357 20.570 1.00 0.00 C ATOM 431 O TYR A 32 -7.345 13.389 20.255 1.00 0.00 O ATOM 432 CB TYR A 32 -5.125 11.093 20.836 1.00 0.00 C ATOM 433 CG TYR A 32 -4.464 10.143 21.805 1.00 0.00 C ATOM 434 CD1 TYR A 32 -5.208 9.224 22.527 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.097 10.190 22.019 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.614 8.390 23.431 1.00 0.00 C ATOM 437 CE2 TYR A 32 -2.493 9.350 22.922 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.258 8.456 23.631 1.00 0.00 C ATOM 439 OH TYR A 32 -2.651 7.604 24.528 1.00 0.00 O ATOM 0 H TYR A 32 -7.467 11.593 21.965 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.779 12.751 22.055 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.953 10.587 20.340 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.413 11.374 20.060 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.275 9.166 22.372 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.496 10.898 21.467 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.210 7.681 23.987 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.425 9.392 23.074 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.318 7.268 25.162 1.00 0.00 H new ATOM 449 N GLY A 33 -5.241 14.194 20.150 1.00 0.00 N ATOM 450 CA GLY A 33 -5.551 15.317 19.284 1.00 0.00 C ATOM 451 C GLY A 33 -6.179 14.901 17.986 1.00 0.00 C ATOM 452 O GLY A 33 -6.927 15.657 17.390 1.00 0.00 O ATOM 0 H GLY A 33 -4.254 14.125 20.396 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.225 15.996 19.806 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.636 15.872 19.077 1.00 0.00 H new ATOM 456 N ASN A 34 -5.874 13.701 17.551 1.00 0.00 N ATOM 457 CA ASN A 34 -6.429 13.176 16.349 1.00 0.00 C ATOM 458 C ASN A 34 -6.326 11.680 16.340 1.00 0.00 C ATOM 459 O ASN A 34 -5.680 11.085 17.218 1.00 0.00 O ATOM 460 CB ASN A 34 -5.783 13.801 15.099 1.00 0.00 C ATOM 461 CG ASN A 34 -4.268 13.703 15.057 1.00 0.00 C ATOM 462 OD1 ASN A 34 -3.675 12.770 15.568 1.00 0.00 O ATOM 463 ND2 ASN A 34 -3.633 14.678 14.460 1.00 0.00 N ATOM 0 H ASN A 34 -5.232 13.069 18.029 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.485 13.444 16.318 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.191 13.314 14.213 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.068 14.852 15.045 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.614 14.670 14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.157 15.446 14.041 1.00 0.00 H new ATOM 470 N LYS A 35 -6.965 11.069 15.367 1.00 0.00 N ATOM 471 CA LYS A 35 -6.978 9.628 15.219 1.00 0.00 C ATOM 472 C LYS A 35 -5.616 9.109 14.970 1.00 0.00 C ATOM 473 O LYS A 35 -5.287 8.038 15.347 1.00 0.00 O ATOM 474 CB LYS A 35 -7.948 9.200 14.139 1.00 0.00 C ATOM 475 CG LYS A 35 -8.104 7.682 13.963 1.00 0.00 C ATOM 476 CD LYS A 35 -9.041 7.323 12.803 1.00 0.00 C ATOM 477 CE LYS A 35 -10.483 7.715 13.086 1.00 0.00 C ATOM 478 NZ LYS A 35 -11.381 7.424 11.948 1.00 0.00 N ATOM 0 H LYS A 35 -7.496 11.562 14.649 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.326 9.194 16.157 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.926 9.626 14.362 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.623 9.628 13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.125 7.236 13.787 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.490 7.249 14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.702 7.823 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.988 6.251 12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.835 7.181 13.969 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.528 8.779 13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.203 6.883 12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.704 8.317 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.868 6.867 11.235 1.00 0.00 H new ATOM 492 N CYS A 36 -4.886 9.878 14.323 1.00 0.00 N ATOM 493 CA CYS A 36 -3.480 9.647 14.082 1.00 0.00 C ATOM 494 C CYS A 36 -2.751 9.288 15.406 1.00 0.00 C ATOM 495 O CYS A 36 -2.181 8.204 15.564 1.00 0.00 O ATOM 496 CB CYS A 36 -2.915 10.910 13.390 1.00 0.00 C ATOM 497 SG CYS A 36 -1.105 11.161 13.386 1.00 0.00 S ATOM 0 H CYS A 36 -5.229 10.744 13.907 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.321 8.791 13.426 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.251 10.899 12.353 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.370 11.780 13.864 1.00 0.00 H new ATOM 502 N ALA A 37 -2.924 10.131 16.332 1.00 0.00 N ATOM 503 CA ALA A 37 -2.342 10.062 17.646 1.00 0.00 C ATOM 504 C ALA A 37 -2.891 8.856 18.431 1.00 0.00 C ATOM 505 O ALA A 37 -2.157 8.154 19.103 1.00 0.00 O ATOM 506 CB ALA A 37 -2.680 11.364 18.352 1.00 0.00 C ATOM 0 H ALA A 37 -3.513 10.954 16.208 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.262 9.928 17.579 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.256 11.354 19.356 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.264 12.201 17.791 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.763 11.473 18.416 1.00 0.00 H new ATOM 512 N PHE A 38 -4.172 8.632 18.323 1.00 0.00 N ATOM 513 CA PHE A 38 -4.856 7.532 19.038 1.00 0.00 C ATOM 514 C PHE A 38 -4.817 6.171 18.310 1.00 0.00 C ATOM 515 O PHE A 38 -4.944 5.137 18.942 1.00 0.00 O ATOM 516 CB PHE A 38 -6.305 7.966 19.397 1.00 0.00 C ATOM 517 CG PHE A 38 -7.232 6.857 19.801 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.960 6.052 20.897 1.00 0.00 C ATOM 519 CD2 PHE A 38 -8.365 6.608 19.057 1.00 0.00 C ATOM 520 CE1 PHE A 38 -7.801 5.017 21.225 1.00 0.00 C ATOM 521 CE2 PHE A 38 -9.213 5.584 19.389 1.00 0.00 C ATOM 522 CZ PHE A 38 -8.927 4.785 20.470 1.00 0.00 C ATOM 0 H PHE A 38 -4.793 9.195 17.741 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.293 7.353 19.954 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.257 8.690 20.210 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.735 8.480 18.537 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.081 6.240 21.496 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.587 7.228 18.201 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.579 4.387 22.074 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.103 5.406 18.803 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.589 3.972 20.728 1.00 0.00 H new ATOM 532 N CYS A 39 -4.525 6.166 17.042 1.00 0.00 N ATOM 533 CA CYS A 39 -4.624 4.964 16.217 1.00 0.00 C ATOM 534 C CYS A 39 -3.707 3.921 16.712 1.00 0.00 C ATOM 535 O CYS A 39 -4.072 2.799 16.768 1.00 0.00 O ATOM 536 CB CYS A 39 -4.346 5.286 14.736 1.00 0.00 C ATOM 537 SG CYS A 39 -4.663 3.921 13.556 1.00 0.00 S ATOM 0 H CYS A 39 -4.208 6.992 16.534 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.643 4.584 16.288 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.958 6.141 14.448 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.304 5.592 14.639 1.00 0.00 H new ATOM 542 N LYS A 40 -2.596 4.344 17.280 1.00 0.00 N ATOM 543 CA LYS A 40 -1.536 3.496 17.661 1.00 0.00 C ATOM 544 C LYS A 40 -1.920 2.563 18.717 1.00 0.00 C ATOM 545 O LYS A 40 -1.424 1.458 18.822 1.00 0.00 O ATOM 546 CB LYS A 40 -0.363 4.339 18.100 1.00 0.00 C ATOM 547 CG LYS A 40 -0.593 5.540 19.107 1.00 0.00 C ATOM 548 CD LYS A 40 -0.996 5.087 20.516 1.00 0.00 C ATOM 549 CE LYS A 40 -1.270 6.225 21.505 1.00 0.00 C ATOM 550 NZ LYS A 40 -1.711 5.721 22.862 1.00 0.00 N ATOM 0 H LYS A 40 -2.421 5.327 17.487 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.260 2.891 16.797 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.368 3.669 18.553 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.096 4.751 17.201 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.321 6.130 19.171 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.368 6.195 18.709 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.889 4.467 20.441 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.204 4.457 20.920 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.368 6.827 21.620 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.040 6.879 21.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.671 6.499 23.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.686 5.363 22.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.080 4.954 23.169 1.00 0.00 H new ATOM 564 N ALA A 41 -2.761 3.048 19.478 1.00 0.00 N ATOM 565 CA ALA A 41 -3.295 2.360 20.602 1.00 0.00 C ATOM 566 C ALA A 41 -4.081 1.223 20.107 1.00 0.00 C ATOM 567 O ALA A 41 -3.949 0.107 20.586 1.00 0.00 O ATOM 568 CB ALA A 41 -4.185 3.285 21.310 1.00 0.00 C ATOM 0 H ALA A 41 -3.141 3.987 19.358 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.505 2.009 21.266 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.612 2.785 22.180 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.619 4.158 21.634 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.987 3.600 20.643 1.00 0.00 H new ATOM 574 N ILE A 42 -4.800 1.489 19.048 1.00 0.00 N ATOM 575 CA ILE A 42 -5.679 0.547 18.505 1.00 0.00 C ATOM 576 C ILE A 42 -4.885 -0.517 17.872 1.00 0.00 C ATOM 577 O ILE A 42 -5.021 -1.679 18.199 1.00 0.00 O ATOM 578 CB ILE A 42 -6.511 1.267 17.493 1.00 0.00 C ATOM 579 CG1 ILE A 42 -7.367 2.201 18.226 1.00 0.00 C ATOM 580 CG2 ILE A 42 -7.297 0.325 16.669 1.00 0.00 C ATOM 581 CD1 ILE A 42 -7.837 3.299 17.389 1.00 0.00 C ATOM 0 H ILE A 42 -4.775 2.379 18.551 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.321 0.094 19.260 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.878 1.811 16.792 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.225 1.663 18.630 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.816 2.605 19.075 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.890 0.883 15.944 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.621 -0.349 16.143 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.960 -0.254 17.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.468 3.963 17.980 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.982 3.856 17.006 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.413 2.899 16.554 1.00 0.00 H new ATOM 593 N VAL A 43 -3.991 -0.065 17.067 1.00 0.00 N ATOM 594 CA VAL A 43 -3.113 -0.878 16.275 1.00 0.00 C ATOM 595 C VAL A 43 -2.373 -1.866 17.127 1.00 0.00 C ATOM 596 O VAL A 43 -2.441 -3.056 16.912 1.00 0.00 O ATOM 597 CB VAL A 43 -2.086 -0.007 15.589 1.00 0.00 C ATOM 598 CG1 VAL A 43 -1.317 -0.807 14.595 1.00 0.00 C ATOM 599 CG2 VAL A 43 -2.703 1.171 14.935 1.00 0.00 C ATOM 0 H VAL A 43 -3.837 0.934 16.930 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.727 -1.408 15.546 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.407 0.366 16.356 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.580 -0.169 14.107 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.808 -1.627 15.103 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.999 -1.211 13.847 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.928 1.768 14.455 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.420 0.837 14.185 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.216 1.776 15.683 1.00 0.00 H new ATOM 609 N LYS A 44 -1.756 -1.366 18.146 1.00 0.00 N ATOM 610 CA LYS A 44 -0.891 -2.167 18.967 1.00 0.00 C ATOM 611 C LYS A 44 -1.646 -3.174 19.781 1.00 0.00 C ATOM 612 O LYS A 44 -1.144 -4.240 20.097 1.00 0.00 O ATOM 613 CB LYS A 44 -0.024 -1.283 19.793 1.00 0.00 C ATOM 614 CG LYS A 44 1.002 -0.549 18.916 1.00 0.00 C ATOM 615 CD LYS A 44 2.017 0.282 19.686 1.00 0.00 C ATOM 616 CE LYS A 44 3.016 0.906 18.703 1.00 0.00 C ATOM 617 NZ LYS A 44 4.096 1.684 19.369 1.00 0.00 N ATOM 0 H LYS A 44 -1.833 -0.392 18.438 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.246 -2.759 18.318 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.639 -0.557 20.325 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.494 -1.876 20.547 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.536 -1.284 18.313 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.468 0.103 18.225 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.510 1.064 20.251 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.543 -0.343 20.408 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.466 0.115 18.103 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.478 1.560 18.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.735 2.078 18.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.676 2.459 19.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.633 1.059 20.004 1.00 0.00 H new ATOM 631 N SER A 45 -2.829 -2.826 20.123 1.00 0.00 N ATOM 632 CA SER A 45 -3.714 -3.761 20.768 1.00 0.00 C ATOM 633 C SER A 45 -4.582 -4.558 19.751 1.00 0.00 C ATOM 634 O SER A 45 -5.546 -5.225 20.129 1.00 0.00 O ATOM 635 CB SER A 45 -4.552 -3.055 21.794 1.00 0.00 C ATOM 636 OG SER A 45 -3.707 -2.420 22.737 1.00 0.00 O ATOM 0 H SER A 45 -3.223 -1.897 19.972 1.00 0.00 H new ATOM 0 HA SER A 45 -3.101 -4.504 21.279 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.194 -2.318 21.311 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.206 -3.767 22.297 1.00 0.00 H new ATOM 0 HG SER A 45 -3.504 -1.510 22.434 1.00 0.00 H new ATOM 642 N GLY A 46 -4.246 -4.483 18.466 1.00 0.00 N ATOM 643 CA GLY A 46 -4.855 -5.305 17.499 1.00 0.00 C ATOM 644 C GLY A 46 -6.075 -4.777 16.832 1.00 0.00 C ATOM 645 O GLY A 46 -6.757 -5.515 16.121 1.00 0.00 O ATOM 0 H GLY A 46 -3.543 -3.843 18.096 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.116 -5.525 16.728 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.112 -6.252 17.973 1.00 0.00 H new ATOM 649 N GLY A 47 -6.398 -3.601 17.096 1.00 0.00 N ATOM 650 CA GLY A 47 -7.603 -3.043 16.577 1.00 0.00 C ATOM 651 C GLY A 47 -8.713 -3.219 17.569 1.00 0.00 C ATOM 652 O GLY A 47 -9.823 -2.783 17.355 1.00 0.00 O ATOM 0 H GLY A 47 -5.850 -2.969 17.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.461 -1.984 16.361 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.863 -3.528 15.636 1.00 0.00 H new ATOM 656 N LYS A 48 -8.395 -3.918 18.659 1.00 0.00 N ATOM 657 CA LYS A 48 -9.346 -4.193 19.697 1.00 0.00 C ATOM 658 C LYS A 48 -9.791 -2.969 20.506 1.00 0.00 C ATOM 659 O LYS A 48 -10.902 -2.944 21.023 1.00 0.00 O ATOM 660 CB LYS A 48 -8.881 -5.356 20.568 1.00 0.00 C ATOM 661 CG LYS A 48 -8.902 -6.726 19.833 1.00 0.00 C ATOM 662 CD LYS A 48 -7.826 -6.869 18.753 1.00 0.00 C ATOM 663 CE LYS A 48 -8.023 -8.095 17.855 1.00 0.00 C ATOM 664 NZ LYS A 48 -7.025 -8.127 16.724 1.00 0.00 N ATOM 0 H LYS A 48 -7.466 -4.303 18.832 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.261 -4.501 19.191 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.868 -5.156 20.918 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.518 -5.416 21.451 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.774 -7.522 20.566 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.882 -6.867 19.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.822 -5.972 18.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.848 -6.931 19.231 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.925 -9.002 18.452 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.034 -8.089 17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.363 -8.772 15.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.917 -7.171 16.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.107 -8.460 17.081 1.00 0.00 H new ATOM 678 N ILE A 49 -8.936 -1.984 20.643 1.00 0.00 N ATOM 679 CA ILE A 49 -9.365 -0.733 21.295 1.00 0.00 C ATOM 680 C ILE A 49 -10.222 0.068 20.320 1.00 0.00 C ATOM 681 O ILE A 49 -10.012 0.023 19.117 1.00 0.00 O ATOM 682 CB ILE A 49 -8.159 0.111 21.759 1.00 0.00 C ATOM 683 CG1 ILE A 49 -7.314 -0.729 22.682 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.596 1.416 22.492 1.00 0.00 C ATOM 685 CD1 ILE A 49 -5.985 -0.144 22.931 1.00 0.00 C ATOM 0 H ILE A 49 -7.966 -2.003 20.329 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.945 -0.987 22.182 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.594 0.412 20.877 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.835 -0.853 23.631 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.193 -1.723 22.252 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.712 1.975 22.799 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.196 2.028 21.819 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.186 1.159 23.372 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.422 -0.793 23.602 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.449 -0.045 21.987 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.100 0.839 23.388 1.00 0.00 H new ATOM 697 N SER A 50 -11.145 0.807 20.843 1.00 0.00 N ATOM 698 CA SER A 50 -12.088 1.530 20.060 1.00 0.00 C ATOM 699 C SER A 50 -12.130 2.928 20.600 1.00 0.00 C ATOM 700 O SER A 50 -11.327 3.275 21.469 1.00 0.00 O ATOM 701 CB SER A 50 -13.459 0.857 20.173 1.00 0.00 C ATOM 702 OG SER A 50 -13.382 -0.507 19.793 1.00 0.00 O ATOM 0 H SER A 50 -11.266 0.926 21.849 1.00 0.00 H new ATOM 0 HA SER A 50 -11.809 1.546 19.006 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.824 0.934 21.197 1.00 0.00 H new ATOM 0 HB3 SER A 50 -14.178 1.376 19.539 1.00 0.00 H new ATOM 0 HG SER A 50 -14.267 -0.920 19.874 1.00 0.00 H new ATOM 708 N LEU A 51 -12.961 3.745 20.065 1.00 0.00 N ATOM 709 CA LEU A 51 -13.136 4.991 20.499 1.00 0.00 C ATOM 710 C LEU A 51 -14.158 5.119 21.611 1.00 0.00 C ATOM 711 O LEU A 51 -15.170 4.434 21.618 1.00 0.00 O ATOM 712 CB LEU A 51 -13.597 5.778 19.387 1.00 0.00 C ATOM 713 CG LEU A 51 -13.696 7.158 19.737 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.344 7.640 20.029 1.00 0.00 C ATOM 715 CD2 LEU A 51 -14.342 7.883 18.708 1.00 0.00 C ATOM 0 H LEU A 51 -13.549 3.502 19.268 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.181 5.328 20.903 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.912 5.661 18.547 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -14.570 5.413 19.058 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.311 7.302 20.625 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.385 8.695 20.301 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.925 7.068 20.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.715 7.516 19.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.410 8.934 18.990 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.770 7.792 17.784 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.344 7.483 18.555 1.00 0.00 H new ATOM 727 N LYS A 52 -13.844 5.972 22.552 1.00 0.00 N ATOM 728 CA LYS A 52 -14.729 6.368 23.541 1.00 0.00 C ATOM 729 C LYS A 52 -15.593 7.531 23.046 1.00 0.00 C ATOM 730 O LYS A 52 -16.809 7.447 23.006 1.00 0.00 O ATOM 731 CB LYS A 52 -13.957 6.761 24.768 1.00 0.00 C ATOM 732 CG LYS A 52 -14.825 7.226 25.849 1.00 0.00 C ATOM 733 CD LYS A 52 -14.085 8.079 26.870 1.00 0.00 C ATOM 734 CE LYS A 52 -12.833 7.422 27.430 1.00 0.00 C ATOM 735 NZ LYS A 52 -12.079 8.381 28.282 1.00 0.00 N ATOM 0 H LYS A 52 -12.925 6.408 22.626 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.392 5.539 23.789 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.374 5.908 25.116 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.248 7.548 24.511 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.647 7.804 25.426 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.266 6.365 26.352 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.810 9.026 26.406 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.761 8.311 27.693 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.106 6.544 28.015 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.200 7.076 26.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.113 8.026 28.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.037 9.307 27.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.559 8.482 29.199 1.00 0.00 H new ATOM 749 N HIS A 53 -14.943 8.568 22.632 1.00 0.00 N ATOM 750 CA HIS A 53 -15.628 9.814 22.241 1.00 0.00 C ATOM 751 C HIS A 53 -14.979 10.415 21.027 1.00 0.00 C ATOM 752 O HIS A 53 -13.741 10.437 20.938 1.00 0.00 O ATOM 753 CB HIS A 53 -15.542 10.933 23.321 1.00 0.00 C ATOM 754 CG HIS A 53 -16.184 10.714 24.660 1.00 0.00 C ATOM 755 ND1 HIS A 53 -15.895 11.501 25.752 1.00 0.00 N ATOM 756 CD2 HIS A 53 -17.125 9.834 25.077 1.00 0.00 C ATOM 757 CE1 HIS A 53 -16.642 11.090 26.773 1.00 0.00 C ATOM 758 NE2 HIS A 53 -17.409 10.078 26.423 1.00 0.00 N ATOM 0 H HIS A 53 -13.927 8.603 22.546 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.664 9.516 22.077 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.486 11.140 23.494 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.978 11.836 22.893 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -17.582 9.068 24.468 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -16.622 11.529 27.760 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -18.073 9.576 27.013 1.00 0.00 H new ATOM 766 N PRO A 54 -15.765 10.885 20.058 1.00 0.00 N ATOM 767 CA PRO A 54 -15.238 11.715 19.000 1.00 0.00 C ATOM 768 C PRO A 54 -15.004 13.097 19.604 1.00 0.00 C ATOM 769 O PRO A 54 -15.953 13.799 19.961 1.00 0.00 O ATOM 770 CB PRO A 54 -16.368 11.764 17.951 1.00 0.00 C ATOM 771 CG PRO A 54 -17.396 10.781 18.417 1.00 0.00 C ATOM 772 CD PRO A 54 -17.202 10.638 19.898 1.00 0.00 C ATOM 0 HA PRO A 54 -14.308 11.358 18.558 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.790 12.766 17.877 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.995 11.501 16.961 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.402 11.133 18.189 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -17.273 9.822 17.914 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.801 11.357 20.457 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.484 9.646 20.250 1.00 0.00 H new ATOM 780 N GLY A 55 -13.772 13.457 19.753 1.00 0.00 N ATOM 781 CA GLY A 55 -13.443 14.654 20.454 1.00 0.00 C ATOM 782 C GLY A 55 -12.806 14.320 21.774 1.00 0.00 C ATOM 783 O GLY A 55 -12.485 13.162 22.036 1.00 0.00 O ATOM 0 H GLY A 55 -12.971 12.935 19.396 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.762 15.260 19.856 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.342 15.249 20.615 1.00 0.00 H new ATOM 787 N LYS A 56 -12.568 15.324 22.568 1.00 0.00 N ATOM 788 CA LYS A 56 -12.010 15.177 23.865 1.00 0.00 C ATOM 789 C LYS A 56 -12.860 14.484 24.880 1.00 0.00 C ATOM 790 O LYS A 56 -14.040 14.182 24.706 1.00 0.00 O ATOM 791 CB LYS A 56 -11.744 16.528 24.490 1.00 0.00 C ATOM 792 CG LYS A 56 -10.676 17.367 23.904 1.00 0.00 C ATOM 793 CD LYS A 56 -10.388 18.604 24.792 1.00 0.00 C ATOM 794 CE LYS A 56 -9.869 18.238 26.230 1.00 0.00 C ATOM 795 NZ LYS A 56 -10.941 17.887 27.243 1.00 0.00 N ATOM 0 H LYS A 56 -12.766 16.292 22.316 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.124 14.576 23.663 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.672 17.099 24.458 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.504 16.368 25.541 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.767 16.777 23.791 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.971 17.692 22.906 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.648 19.232 24.297 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.299 19.196 24.883 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.184 17.395 26.146 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.293 19.080 26.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.640 17.058 27.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.091 18.693 27.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.829 17.669 26.747 1.00 0.00 H new ATOM 809 N CYS A 57 -12.175 14.239 25.927 1.00 0.00 N ATOM 810 CA CYS A 57 -12.726 14.008 27.203 1.00 0.00 C ATOM 811 C CYS A 57 -12.296 15.233 27.989 1.00 0.00 C ATOM 812 O CYS A 57 -11.220 15.228 28.584 1.00 0.00 O ATOM 813 CB CYS A 57 -12.194 12.720 27.831 1.00 0.00 C ATOM 814 SG CYS A 57 -12.850 11.187 27.069 1.00 0.00 S ATOM 815 OXT CYS A 57 -12.933 16.293 27.805 1.00 0.00 O ATOM 0 H CYS A 57 -11.156 14.191 25.917 1.00 0.00 H new ATOM 0 HA CYS A 57 -13.807 13.872 27.179 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.107 12.714 27.755 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -12.439 12.718 28.893 1.00 0.00 H new TER 820 CYS A 57