USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 436 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 44 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.1) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 5 ASN : amide:sc= 1.18 K(o=2.4,f=-3.7!) USER MOD Set 2.2: A 20 GLN : amide:sc= 1.19 K(o=2.4,f=-3.7) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.0824 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 150:sc= 0.0304 USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00201) USER MOD Single : A 16 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.00074) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0.687 (180deg=0.595) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0445) USER MOD Single : A 31 ASN : amide:sc= 0.773 K(o=0.77,f=-1.6) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.303 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0639) USER MOD Single : A 40 GLN : amide:sc= 0.273 X(o=0.27,f=-0.023) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.0233 (180deg=-0.184) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.381 -19.021 -10.962 1.00 0.00 N ATOM 2 CA ALA A 1 -7.710 -17.722 -11.577 1.00 0.00 C ATOM 3 C ALA A 1 -6.478 -16.824 -11.702 1.00 0.00 C ATOM 4 O ALA A 1 -5.456 -17.075 -11.064 1.00 0.00 O ATOM 5 CB ALA A 1 -8.815 -17.017 -10.786 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.337 -19.753 -11.699 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.460 -18.955 -10.484 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.114 -19.272 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.073 -17.919 -12.586 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.044 -16.060 -11.255 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.709 -17.640 -10.776 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.479 -16.848 -9.763 1.00 0.00 H new ATOM 13 N ARG A 2 -6.587 -15.775 -12.528 1.00 0.00 N ATOM 14 CA ARG A 2 -5.537 -14.788 -12.741 1.00 0.00 C ATOM 15 C ARG A 2 -5.339 -13.991 -11.450 1.00 0.00 C ATOM 16 O ARG A 2 -6.090 -13.056 -11.181 1.00 0.00 O ATOM 17 CB ARG A 2 -5.916 -13.870 -13.913 1.00 0.00 C ATOM 18 CG ARG A 2 -6.009 -14.646 -15.233 1.00 0.00 C ATOM 19 CD ARG A 2 -6.371 -13.698 -16.381 1.00 0.00 C ATOM 20 NE ARG A 2 -6.526 -14.424 -17.649 1.00 0.00 N ATOM 21 CZ ARG A 2 -5.520 -14.832 -18.442 1.00 0.00 C ATOM 22 NH1 ARG A 2 -4.241 -14.602 -18.112 1.00 0.00 N ATOM 23 NH2 ARG A 2 -5.801 -15.480 -19.581 1.00 0.00 N ATOM 0 H ARG A 2 -7.428 -15.591 -13.075 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.599 -15.282 -12.995 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.872 -13.390 -13.705 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.175 -13.077 -14.009 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.058 -15.136 -15.443 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.761 -15.431 -15.149 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.298 -13.175 -16.144 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.595 -12.940 -16.487 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.476 -14.636 -17.953 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.018 -14.110 -17.247 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.491 -14.919 -18.726 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.771 -15.660 -19.840 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.045 -15.794 -20.189 1.00 0.00 H new ATOM 37 N GLN A 3 -4.339 -14.390 -10.652 1.00 0.00 N ATOM 38 CA GLN A 3 -4.111 -13.910 -9.297 1.00 0.00 C ATOM 39 C GLN A 3 -5.354 -14.180 -8.447 1.00 0.00 C ATOM 40 O GLN A 3 -6.104 -13.260 -8.120 1.00 0.00 O ATOM 41 CB GLN A 3 -3.670 -12.437 -9.292 1.00 0.00 C ATOM 42 CG GLN A 3 -3.156 -12.020 -7.907 1.00 0.00 C ATOM 43 CD GLN A 3 -2.750 -10.550 -7.880 1.00 0.00 C ATOM 44 OE1 GLN A 3 -1.564 -10.230 -7.846 1.00 0.00 O ATOM 45 NE2 GLN A 3 -3.735 -9.650 -7.891 1.00 0.00 N ATOM 0 H GLN A 3 -3.648 -15.079 -10.949 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.284 -14.458 -8.846 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.887 -12.286 -10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.508 -11.802 -9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.931 -12.198 -7.162 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.302 -12.639 -7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.707 -9.958 -7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.516 -8.654 -7.871 1.00 0.00 H new ATOM 54 N GLU A 4 -5.565 -15.456 -8.097 1.00 0.00 N ATOM 55 CA GLU A 4 -6.669 -15.890 -7.254 1.00 0.00 C ATOM 56 C GLU A 4 -6.618 -15.143 -5.921 1.00 0.00 C ATOM 57 O GLU A 4 -5.680 -15.319 -5.145 1.00 0.00 O ATOM 58 CB GLU A 4 -6.603 -17.414 -7.067 1.00 0.00 C ATOM 59 CG GLU A 4 -7.695 -17.956 -6.133 1.00 0.00 C ATOM 60 CD GLU A 4 -9.098 -17.550 -6.576 1.00 0.00 C ATOM 61 OE1 GLU A 4 -9.572 -18.136 -7.573 1.00 0.00 O ATOM 62 OE2 GLU A 4 -9.670 -16.658 -5.911 1.00 0.00 O ATOM 0 H GLU A 4 -4.961 -16.220 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.623 -15.656 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.693 -17.897 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.625 -17.683 -6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.630 -19.043 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.517 -17.591 -5.121 1.00 0.00 H new ATOM 69 N ASN A 5 -7.628 -14.300 -5.680 1.00 0.00 N ATOM 70 CA ASN A 5 -7.706 -13.408 -4.537 1.00 0.00 C ATOM 71 C ASN A 5 -9.147 -13.392 -4.017 1.00 0.00 C ATOM 72 O ASN A 5 -9.955 -12.598 -4.497 1.00 0.00 O ATOM 73 CB ASN A 5 -7.248 -12.008 -4.972 1.00 0.00 C ATOM 74 CG ASN A 5 -7.444 -10.975 -3.865 1.00 0.00 C ATOM 75 OD1 ASN A 5 -7.435 -11.316 -2.684 1.00 0.00 O ATOM 76 ND2 ASN A 5 -7.633 -9.711 -4.244 1.00 0.00 N ATOM 0 H ASN A 5 -8.435 -14.224 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.056 -13.747 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.196 -12.042 -5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.806 -11.702 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.777 -8.984 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.633 -9.470 -5.235 1.00 0.00 H new ATOM 83 N PRO A 6 -9.483 -14.248 -3.038 1.00 0.00 N ATOM 84 CA PRO A 6 -10.802 -14.293 -2.417 1.00 0.00 C ATOM 85 C PRO A 6 -11.270 -12.999 -1.741 1.00 0.00 C ATOM 86 O PRO A 6 -12.456 -12.863 -1.449 1.00 0.00 O ATOM 87 CB PRO A 6 -10.741 -15.444 -1.408 1.00 0.00 C ATOM 88 CG PRO A 6 -9.667 -16.362 -1.986 1.00 0.00 C ATOM 89 CD PRO A 6 -8.673 -15.371 -2.587 1.00 0.00 C ATOM 0 HA PRO A 6 -11.545 -14.437 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.475 -15.092 -0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.701 -15.953 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.207 -16.982 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.073 -17.037 -2.739 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.936 -15.054 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.123 -15.818 -3.415 1.00 0.00 H new ATOM 97 N CYS A 7 -10.353 -12.062 -1.482 1.00 0.00 N ATOM 98 CA CYS A 7 -10.618 -10.817 -0.773 1.00 0.00 C ATOM 99 C CYS A 7 -10.887 -9.681 -1.765 1.00 0.00 C ATOM 100 O CYS A 7 -10.792 -9.861 -2.978 1.00 0.00 O ATOM 101 CB CYS A 7 -9.402 -10.490 0.097 1.00 0.00 C ATOM 102 SG CYS A 7 -8.974 -11.699 1.373 1.00 0.00 S ATOM 0 H CYS A 7 -9.379 -12.156 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.504 -10.928 -0.147 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.539 -10.364 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -9.578 -9.530 0.582 1.00 0.00 H new ATOM 107 N GLY A 8 -11.210 -8.499 -1.226 1.00 0.00 N ATOM 108 CA GLY A 8 -11.364 -7.254 -1.959 1.00 0.00 C ATOM 109 C GLY A 8 -10.854 -6.098 -1.094 1.00 0.00 C ATOM 110 O GLY A 8 -10.482 -6.315 0.061 1.00 0.00 O ATOM 0 H GLY A 8 -11.376 -8.388 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.807 -7.297 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.411 -7.097 -2.218 1.00 0.00 H new ATOM 114 N PRO A 9 -10.834 -4.866 -1.626 1.00 0.00 N ATOM 115 CA PRO A 9 -10.454 -3.680 -0.877 1.00 0.00 C ATOM 116 C PRO A 9 -11.509 -3.374 0.186 1.00 0.00 C ATOM 117 O PRO A 9 -12.677 -3.733 0.040 1.00 0.00 O ATOM 118 CB PRO A 9 -10.337 -2.558 -1.910 1.00 0.00 C ATOM 119 CG PRO A 9 -11.315 -2.991 -3.001 1.00 0.00 C ATOM 120 CD PRO A 9 -11.222 -4.519 -2.980 1.00 0.00 C ATOM 0 HA PRO A 9 -9.512 -3.807 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.607 -1.590 -1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.320 -2.466 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.328 -2.648 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.036 -2.585 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.177 -4.974 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.489 -4.877 -3.702 1.00 0.00 H new ATOM 128 N CYS A 10 -11.078 -2.718 1.266 1.00 0.00 N ATOM 129 CA CYS A 10 -11.909 -2.453 2.429 1.00 0.00 C ATOM 130 C CYS A 10 -13.054 -1.517 2.051 1.00 0.00 C ATOM 131 O CYS A 10 -14.220 -1.860 2.235 1.00 0.00 O ATOM 132 CB CYS A 10 -11.059 -1.871 3.565 1.00 0.00 C ATOM 133 SG CYS A 10 -10.009 -3.064 4.443 1.00 0.00 S ATOM 0 H CYS A 10 -10.129 -2.354 1.352 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.343 -3.388 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.423 -1.086 3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -11.724 -1.397 4.287 1.00 0.00 H new ATOM 138 N SER A 11 -12.717 -0.339 1.514 1.00 0.00 N ATOM 139 CA SER A 11 -13.697 0.661 1.117 1.00 0.00 C ATOM 140 C SER A 11 -14.120 0.427 -0.334 1.00 0.00 C ATOM 141 O SER A 11 -13.865 1.266 -1.196 1.00 0.00 O ATOM 142 CB SER A 11 -13.115 2.063 1.331 1.00 0.00 C ATOM 143 OG SER A 11 -12.763 2.253 2.685 1.00 0.00 O ATOM 0 H SER A 11 -11.751 -0.058 1.345 1.00 0.00 H new ATOM 0 HA SER A 11 -14.591 0.575 1.735 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.237 2.199 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.844 2.815 1.030 1.00 0.00 H new ATOM 0 HG SER A 11 -12.006 2.873 2.742 1.00 0.00 H new ATOM 149 N GLU A 12 -14.774 -0.713 -0.602 1.00 0.00 N ATOM 150 CA GLU A 12 -15.263 -1.060 -1.931 1.00 0.00 C ATOM 151 C GLU A 12 -16.532 -0.256 -2.234 1.00 0.00 C ATOM 152 O GLU A 12 -17.646 -0.771 -2.163 1.00 0.00 O ATOM 153 CB GLU A 12 -15.476 -2.581 -2.031 1.00 0.00 C ATOM 154 CG GLU A 12 -15.895 -3.058 -3.431 1.00 0.00 C ATOM 155 CD GLU A 12 -14.886 -2.681 -4.515 1.00 0.00 C ATOM 156 OE1 GLU A 12 -13.973 -3.501 -4.754 1.00 0.00 O ATOM 157 OE2 GLU A 12 -15.046 -1.582 -5.089 1.00 0.00 O ATOM 0 H GLU A 12 -14.976 -1.419 0.106 1.00 0.00 H new ATOM 0 HA GLU A 12 -14.526 -0.796 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.554 -3.087 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.239 -2.880 -1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.019 -4.141 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.865 -2.629 -3.680 1.00 0.00 H new ATOM 164 N ARG A 13 -16.337 1.024 -2.565 1.00 0.00 N ATOM 165 CA ARG A 13 -17.370 1.982 -2.933 1.00 0.00 C ATOM 166 C ARG A 13 -16.760 2.889 -4.009 1.00 0.00 C ATOM 167 O ARG A 13 -15.906 2.444 -4.773 1.00 0.00 O ATOM 168 CB ARG A 13 -17.791 2.787 -1.688 1.00 0.00 C ATOM 169 CG ARG A 13 -18.212 1.923 -0.491 1.00 0.00 C ATOM 170 CD ARG A 13 -18.762 2.798 0.643 1.00 0.00 C ATOM 171 NE ARG A 13 -17.792 3.814 1.079 1.00 0.00 N ATOM 172 CZ ARG A 13 -16.731 3.593 1.872 1.00 0.00 C ATOM 173 NH1 ARG A 13 -16.487 2.377 2.379 1.00 0.00 N ATOM 174 NH2 ARG A 13 -15.902 4.604 2.163 1.00 0.00 N ATOM 0 H ARG A 13 -15.404 1.436 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.265 1.493 -3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -16.962 3.427 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -18.619 3.443 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -18.970 1.205 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -17.358 1.349 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -19.676 3.290 0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -19.030 2.166 1.490 1.00 0.00 H new ATOM 0 HE ARG A 13 -17.938 4.769 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -17.112 1.600 2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.676 2.228 2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.079 5.534 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.094 4.444 2.765 1.00 0.00 H new ATOM 188 N ARG A 14 -17.158 4.169 -4.048 1.00 0.00 N ATOM 189 CA ARG A 14 -16.504 5.203 -4.846 1.00 0.00 C ATOM 190 C ARG A 14 -15.008 5.288 -4.488 1.00 0.00 C ATOM 191 O ARG A 14 -14.196 5.720 -5.303 1.00 0.00 O ATOM 192 CB ARG A 14 -17.210 6.540 -4.570 1.00 0.00 C ATOM 193 CG ARG A 14 -16.875 7.617 -5.611 1.00 0.00 C ATOM 194 CD ARG A 14 -17.234 9.012 -5.090 1.00 0.00 C ATOM 195 NE ARG A 14 -16.338 9.420 -3.999 1.00 0.00 N ATOM 196 CZ ARG A 14 -16.425 10.576 -3.322 1.00 0.00 C ATOM 197 NH1 ARG A 14 -17.402 11.454 -3.587 1.00 0.00 N ATOM 198 NH2 ARG A 14 -15.524 10.854 -2.370 1.00 0.00 N ATOM 0 H ARG A 14 -17.956 4.515 -3.516 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.575 4.963 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -18.288 6.380 -4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.926 6.898 -3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.813 7.577 -5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.420 7.418 -6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.172 9.734 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.266 9.017 -4.738 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.593 8.775 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.091 11.248 -4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.457 12.329 -3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.778 10.189 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.584 11.730 -1.852 1.00 0.00 H new ATOM 212 N LYS A 15 -14.656 4.864 -3.265 1.00 0.00 N ATOM 213 CA LYS A 15 -13.323 4.831 -2.682 1.00 0.00 C ATOM 214 C LYS A 15 -12.480 3.686 -3.269 1.00 0.00 C ATOM 215 O LYS A 15 -11.873 2.904 -2.539 1.00 0.00 O ATOM 216 CB LYS A 15 -13.488 4.743 -1.154 1.00 0.00 C ATOM 217 CG LYS A 15 -13.839 6.083 -0.489 1.00 0.00 C ATOM 218 CD LYS A 15 -15.201 6.651 -0.912 1.00 0.00 C ATOM 219 CE LYS A 15 -15.549 7.900 -0.101 1.00 0.00 C ATOM 220 NZ LYS A 15 -16.874 8.424 -0.474 1.00 0.00 N ATOM 0 H LYS A 15 -15.357 4.509 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.770 5.738 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.269 4.018 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.563 4.364 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.831 5.953 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.063 6.810 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.183 6.896 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.974 5.895 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.535 7.662 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.792 8.667 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.077 9.281 0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.883 8.656 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.599 7.705 -0.278 1.00 0.00 H new ATOM 234 N HIS A 16 -12.401 3.621 -4.605 1.00 0.00 N ATOM 235 CA HIS A 16 -11.485 2.753 -5.336 1.00 0.00 C ATOM 236 C HIS A 16 -10.025 3.181 -5.119 1.00 0.00 C ATOM 237 O HIS A 16 -9.109 2.445 -5.478 1.00 0.00 O ATOM 238 CB HIS A 16 -11.834 2.788 -6.828 1.00 0.00 C ATOM 239 CG HIS A 16 -13.253 2.383 -7.139 1.00 0.00 C ATOM 240 ND1 HIS A 16 -13.734 1.101 -6.911 1.00 0.00 N ATOM 241 CD2 HIS A 16 -14.309 3.074 -7.683 1.00 0.00 C ATOM 242 CE1 HIS A 16 -15.008 1.072 -7.340 1.00 0.00 C ATOM 243 NE2 HIS A 16 -15.419 2.246 -7.825 1.00 0.00 N ATOM 0 H HIS A 16 -12.989 4.187 -5.217 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.592 1.735 -4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -11.664 3.796 -7.206 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.153 2.127 -7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.281 4.117 -7.962 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.633 0.192 -7.297 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.334 2.481 -8.210 1.00 0.00 H new ATOM 251 N LEU A 17 -9.815 4.362 -4.516 1.00 0.00 N ATOM 252 CA LEU A 17 -8.533 4.869 -4.047 1.00 0.00 C ATOM 253 C LEU A 17 -7.869 3.877 -3.082 1.00 0.00 C ATOM 254 O LEU A 17 -6.645 3.883 -2.950 1.00 0.00 O ATOM 255 CB LEU A 17 -8.749 6.220 -3.341 1.00 0.00 C ATOM 256 CG LEU A 17 -9.077 7.423 -4.247 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.876 7.831 -5.107 1.00 0.00 C ATOM 258 CD2 LEU A 17 -10.313 7.234 -5.133 1.00 0.00 C ATOM 0 H LEU A 17 -10.578 5.015 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.874 5.000 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.559 6.104 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.849 6.456 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.317 8.227 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.148 8.682 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.043 8.107 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.582 6.995 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.469 8.129 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.163 6.376 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.188 7.063 -4.506 1.00 0.00 H new ATOM 270 N PHE A 18 -8.667 3.019 -2.430 1.00 0.00 N ATOM 271 CA PHE A 18 -8.180 1.959 -1.566 1.00 0.00 C ATOM 272 C PHE A 18 -7.944 0.718 -2.417 1.00 0.00 C ATOM 273 O PHE A 18 -8.785 0.340 -3.232 1.00 0.00 O ATOM 274 CB PHE A 18 -9.199 1.634 -0.473 1.00 0.00 C ATOM 275 CG PHE A 18 -9.395 2.707 0.585 1.00 0.00 C ATOM 276 CD1 PHE A 18 -10.046 3.918 0.274 1.00 0.00 C ATOM 277 CD2 PHE A 18 -8.982 2.460 1.909 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.337 4.845 1.291 1.00 0.00 C ATOM 279 CE2 PHE A 18 -9.268 3.390 2.924 1.00 0.00 C ATOM 280 CZ PHE A 18 -9.964 4.573 2.619 1.00 0.00 C ATOM 0 H PHE A 18 -9.684 3.051 -2.496 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.256 2.283 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.161 1.436 -0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.892 0.713 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.322 4.135 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.444 1.554 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.847 5.766 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.953 3.196 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.212 5.272 3.404 1.00 0.00 H new ATOM 290 N VAL A 19 -6.784 0.099 -2.201 1.00 0.00 N ATOM 291 CA VAL A 19 -6.333 -1.115 -2.863 1.00 0.00 C ATOM 292 C VAL A 19 -5.954 -2.147 -1.801 1.00 0.00 C ATOM 293 O VAL A 19 -5.867 -1.825 -0.616 1.00 0.00 O ATOM 294 CB VAL A 19 -5.184 -0.813 -3.844 1.00 0.00 C ATOM 295 CG1 VAL A 19 -5.674 0.085 -4.987 1.00 0.00 C ATOM 296 CG2 VAL A 19 -3.969 -0.158 -3.173 1.00 0.00 C ATOM 0 H VAL A 19 -6.104 0.451 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.138 -1.534 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.860 -1.778 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.849 0.288 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.476 -0.418 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.045 1.025 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.197 0.028 -3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.269 0.786 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.577 -0.822 -2.403 1.00 0.00 H new ATOM 306 N GLN A 20 -5.755 -3.396 -2.236 1.00 0.00 N ATOM 307 CA GLN A 20 -5.603 -4.554 -1.372 1.00 0.00 C ATOM 308 C GLN A 20 -4.337 -5.328 -1.738 1.00 0.00 C ATOM 309 O GLN A 20 -4.067 -5.548 -2.918 1.00 0.00 O ATOM 310 CB GLN A 20 -6.832 -5.446 -1.579 1.00 0.00 C ATOM 311 CG GLN A 20 -6.889 -6.627 -0.601 1.00 0.00 C ATOM 312 CD GLN A 20 -7.328 -7.897 -1.322 1.00 0.00 C ATOM 313 OE1 GLN A 20 -8.339 -7.897 -2.018 1.00 0.00 O ATOM 314 NE2 GLN A 20 -6.570 -8.984 -1.182 1.00 0.00 N ATOM 0 H GLN A 20 -5.695 -3.627 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.519 -4.241 -0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.734 -4.844 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.829 -5.827 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.909 -6.779 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.583 -6.403 0.209 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.736 -8.952 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.824 -9.848 -1.661 1.00 0.00 H new ATOM 323 N ASP A 21 -3.581 -5.766 -0.725 1.00 0.00 N ATOM 324 CA ASP A 21 -2.485 -6.704 -0.904 1.00 0.00 C ATOM 325 C ASP A 21 -3.101 -8.085 -1.175 1.00 0.00 C ATOM 326 O ASP A 21 -3.856 -8.571 -0.333 1.00 0.00 O ATOM 327 CB ASP A 21 -1.618 -6.728 0.359 1.00 0.00 C ATOM 328 CG ASP A 21 -0.435 -7.682 0.206 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.669 -8.907 0.297 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.686 -7.170 -0.005 1.00 0.00 O ATOM 0 H ASP A 21 -3.719 -5.474 0.243 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.847 -6.412 -1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.252 -5.723 0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.224 -7.032 1.212 1.00 0.00 H new ATOM 335 N PRO A 22 -2.813 -8.728 -2.318 1.00 0.00 N ATOM 336 CA PRO A 22 -3.495 -9.942 -2.749 1.00 0.00 C ATOM 337 C PRO A 22 -3.209 -11.152 -1.850 1.00 0.00 C ATOM 338 O PRO A 22 -4.011 -12.083 -1.825 1.00 0.00 O ATOM 339 CB PRO A 22 -3.038 -10.181 -4.191 1.00 0.00 C ATOM 340 CG PRO A 22 -1.663 -9.518 -4.240 1.00 0.00 C ATOM 341 CD PRO A 22 -1.830 -8.319 -3.308 1.00 0.00 C ATOM 0 HA PRO A 22 -4.575 -9.815 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.980 -11.244 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.725 -9.735 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.877 -10.191 -3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.399 -9.210 -5.252 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.884 -8.055 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.168 -7.440 -3.857 1.00 0.00 H new ATOM 349 N GLN A 23 -2.086 -11.147 -1.119 1.00 0.00 N ATOM 350 CA GLN A 23 -1.650 -12.274 -0.306 1.00 0.00 C ATOM 351 C GLN A 23 -2.222 -12.185 1.111 1.00 0.00 C ATOM 352 O GLN A 23 -2.730 -13.179 1.626 1.00 0.00 O ATOM 353 CB GLN A 23 -0.116 -12.323 -0.258 1.00 0.00 C ATOM 354 CG GLN A 23 0.491 -12.543 -1.648 1.00 0.00 C ATOM 355 CD GLN A 23 2.015 -12.601 -1.585 1.00 0.00 C ATOM 356 OE1 GLN A 23 2.694 -11.678 -2.029 1.00 0.00 O ATOM 357 NE2 GLN A 23 2.559 -13.688 -1.034 1.00 0.00 N ATOM 0 H GLN A 23 -1.453 -10.348 -1.080 1.00 0.00 H new ATOM 0 HA GLN A 23 -2.023 -13.191 -0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.264 -11.391 0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.201 -13.125 0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.107 -13.471 -2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.183 -11.737 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.960 -14.433 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.573 -13.774 -0.970 1.00 0.00 H new ATOM 366 N THR A 24 -2.132 -11.007 1.740 1.00 0.00 N ATOM 367 CA THR A 24 -2.454 -10.817 3.151 1.00 0.00 C ATOM 368 C THR A 24 -3.857 -10.238 3.354 1.00 0.00 C ATOM 369 O THR A 24 -4.383 -10.310 4.463 1.00 0.00 O ATOM 370 CB THR A 24 -1.411 -9.890 3.794 1.00 0.00 C ATOM 371 OG1 THR A 24 -1.448 -8.619 3.179 1.00 0.00 O ATOM 372 CG2 THR A 24 0.005 -10.466 3.689 1.00 0.00 C ATOM 0 H THR A 24 -1.830 -10.152 1.274 1.00 0.00 H new ATOM 0 HA THR A 24 -2.435 -11.796 3.629 1.00 0.00 H new ATOM 0 HB THR A 24 -1.662 -9.799 4.851 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.781 -8.034 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.712 -9.780 4.155 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.045 -11.429 4.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.267 -10.599 2.639 1.00 0.00 H new ATOM 380 N CYS A 25 -4.454 -9.653 2.306 1.00 0.00 N ATOM 381 CA CYS A 25 -5.731 -8.953 2.364 1.00 0.00 C ATOM 382 C CYS A 25 -5.663 -7.717 3.266 1.00 0.00 C ATOM 383 O CYS A 25 -6.667 -7.314 3.851 1.00 0.00 O ATOM 384 CB CYS A 25 -6.888 -9.905 2.701 1.00 0.00 C ATOM 385 SG CYS A 25 -6.967 -11.368 1.632 1.00 0.00 S ATOM 0 H CYS A 25 -4.045 -9.658 1.372 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.948 -8.572 1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.790 -10.229 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.829 -9.360 2.625 1.00 0.00 H new ATOM 390 N LYS A 26 -4.475 -7.104 3.353 1.00 0.00 N ATOM 391 CA LYS A 26 -4.248 -5.847 4.045 1.00 0.00 C ATOM 392 C LYS A 26 -4.641 -4.710 3.102 1.00 0.00 C ATOM 393 O LYS A 26 -4.260 -4.727 1.933 1.00 0.00 O ATOM 394 CB LYS A 26 -2.772 -5.783 4.468 1.00 0.00 C ATOM 395 CG LYS A 26 -2.410 -4.544 5.300 1.00 0.00 C ATOM 396 CD LYS A 26 -1.905 -3.377 4.438 1.00 0.00 C ATOM 397 CE LYS A 26 -1.421 -2.208 5.304 1.00 0.00 C ATOM 398 NZ LYS A 26 -2.515 -1.614 6.091 1.00 0.00 N ATOM 0 H LYS A 26 -3.629 -7.486 2.930 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.852 -5.759 4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.531 -6.677 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.148 -5.802 3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.286 -4.222 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.643 -4.811 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.091 -3.720 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.704 -3.037 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.638 -2.556 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.977 -1.444 4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.187 -0.729 6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.322 -1.413 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.809 -2.280 6.834 1.00 0.00 H new ATOM 412 N CYS A 27 -5.398 -3.729 3.609 1.00 0.00 N ATOM 413 CA CYS A 27 -5.914 -2.621 2.817 1.00 0.00 C ATOM 414 C CYS A 27 -5.028 -1.399 3.013 1.00 0.00 C ATOM 415 O CYS A 27 -4.690 -1.048 4.143 1.00 0.00 O ATOM 416 CB CYS A 27 -7.331 -2.263 3.257 1.00 0.00 C ATOM 417 SG CYS A 27 -8.540 -3.602 3.113 1.00 0.00 S ATOM 0 H CYS A 27 -5.669 -3.688 4.592 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.923 -2.923 1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.300 -1.932 4.295 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.676 -1.417 2.663 1.00 0.00 H new ATOM 422 N SER A 28 -4.661 -0.760 1.903 1.00 0.00 N ATOM 423 CA SER A 28 -3.888 0.470 1.888 1.00 0.00 C ATOM 424 C SER A 28 -4.393 1.398 0.790 1.00 0.00 C ATOM 425 O SER A 28 -4.733 0.943 -0.299 1.00 0.00 O ATOM 426 CB SER A 28 -2.403 0.154 1.693 1.00 0.00 C ATOM 427 OG SER A 28 -2.214 -0.658 0.552 1.00 0.00 O ATOM 0 H SER A 28 -4.901 -1.095 0.970 1.00 0.00 H new ATOM 0 HA SER A 28 -4.010 0.977 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.839 1.081 1.584 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.014 -0.354 2.576 1.00 0.00 H new ATOM 0 HG SER A 28 -1.259 -0.849 0.441 1.00 0.00 H new ATOM 433 N CYS A 29 -4.412 2.702 1.074 1.00 0.00 N ATOM 434 CA CYS A 29 -4.681 3.724 0.075 1.00 0.00 C ATOM 435 C CYS A 29 -3.490 3.909 -0.859 1.00 0.00 C ATOM 436 O CYS A 29 -2.351 4.016 -0.408 1.00 0.00 O ATOM 437 CB CYS A 29 -5.071 5.040 0.742 1.00 0.00 C ATOM 438 SG CYS A 29 -6.686 4.930 1.535 1.00 0.00 S ATOM 0 H CYS A 29 -4.240 3.074 2.008 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.523 3.391 -0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.319 5.310 1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.084 5.836 -0.003 1.00 0.00 H new ATOM 443 N LYS A 30 -3.774 3.958 -2.165 1.00 0.00 N ATOM 444 CA LYS A 30 -2.799 4.263 -3.200 1.00 0.00 C ATOM 445 C LYS A 30 -2.323 5.711 -3.046 1.00 0.00 C ATOM 446 O LYS A 30 -1.130 5.988 -3.149 1.00 0.00 O ATOM 447 CB LYS A 30 -3.442 4.015 -4.572 1.00 0.00 C ATOM 448 CG LYS A 30 -2.427 4.161 -5.714 1.00 0.00 C ATOM 449 CD LYS A 30 -3.075 4.034 -7.101 1.00 0.00 C ATOM 450 CE LYS A 30 -3.749 2.681 -7.360 1.00 0.00 C ATOM 451 NZ LYS A 30 -2.812 1.556 -7.196 1.00 0.00 N ATOM 0 H LYS A 30 -4.709 3.782 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.925 3.618 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.873 3.014 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.261 4.719 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.934 5.130 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.654 3.400 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.817 4.824 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.312 4.199 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.588 2.557 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.158 2.667 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.285 0.669 -7.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.983 1.703 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.506 1.501 -6.204 1.00 0.00 H new ATOM 465 N ASN A 31 -3.268 6.626 -2.796 1.00 0.00 N ATOM 466 CA ASN A 31 -3.015 8.043 -2.596 1.00 0.00 C ATOM 467 C ASN A 31 -2.440 8.263 -1.195 1.00 0.00 C ATOM 468 O ASN A 31 -2.928 7.676 -0.231 1.00 0.00 O ATOM 469 CB ASN A 31 -4.336 8.792 -2.794 1.00 0.00 C ATOM 470 CG ASN A 31 -4.211 10.310 -2.695 1.00 0.00 C ATOM 471 OD1 ASN A 31 -3.118 10.869 -2.738 1.00 0.00 O ATOM 472 ND2 ASN A 31 -5.355 10.979 -2.561 1.00 0.00 N ATOM 0 H ASN A 31 -4.257 6.385 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.285 8.421 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.745 8.535 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.052 8.447 -2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.345 11.996 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.241 10.474 -2.530 1.00 0.00 H new ATOM 479 N THR A 32 -1.400 9.101 -1.098 1.00 0.00 N ATOM 480 CA THR A 32 -0.664 9.369 0.130 1.00 0.00 C ATOM 481 C THR A 32 -0.683 10.864 0.449 1.00 0.00 C ATOM 482 O THR A 32 -0.889 11.695 -0.434 1.00 0.00 O ATOM 483 CB THR A 32 0.786 8.879 -0.008 1.00 0.00 C ATOM 484 OG1 THR A 32 1.436 9.561 -1.061 1.00 0.00 O ATOM 485 CG2 THR A 32 0.855 7.368 -0.256 1.00 0.00 C ATOM 0 H THR A 32 -1.042 9.623 -1.898 1.00 0.00 H new ATOM 0 HA THR A 32 -1.145 8.832 0.948 1.00 0.00 H new ATOM 0 HB THR A 32 1.291 9.091 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.359 9.241 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.897 7.062 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.394 6.841 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.323 7.126 -1.176 1.00 0.00 H new ATOM 493 N ASP A 33 -0.436 11.202 1.720 1.00 0.00 N ATOM 494 CA ASP A 33 -0.268 12.582 2.148 1.00 0.00 C ATOM 495 C ASP A 33 0.956 13.213 1.488 1.00 0.00 C ATOM 496 O ASP A 33 0.952 14.411 1.235 1.00 0.00 O ATOM 497 CB ASP A 33 -0.188 12.658 3.675 1.00 0.00 C ATOM 498 CG ASP A 33 -0.306 14.104 4.152 1.00 0.00 C ATOM 499 OD1 ASP A 33 -1.449 14.612 4.136 1.00 0.00 O ATOM 500 OD2 ASP A 33 0.744 14.675 4.518 1.00 0.00 O ATOM 0 H ASP A 33 -0.348 10.522 2.475 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.139 13.155 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.985 12.059 4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.756 12.234 4.016 1.00 0.00 H new ATOM 505 N SER A 34 1.989 12.413 1.192 1.00 0.00 N ATOM 506 CA SER A 34 3.157 12.848 0.440 1.00 0.00 C ATOM 507 C SER A 34 2.751 13.341 -0.953 1.00 0.00 C ATOM 508 O SER A 34 3.144 14.435 -1.358 1.00 0.00 O ATOM 509 CB SER A 34 4.162 11.696 0.344 1.00 0.00 C ATOM 510 OG SER A 34 4.479 11.224 1.637 1.00 0.00 O ATOM 0 H SER A 34 2.030 11.434 1.475 1.00 0.00 H new ATOM 0 HA SER A 34 3.627 13.682 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.745 10.887 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.067 12.033 -0.161 1.00 0.00 H new ATOM 0 HG SER A 34 5.121 10.486 1.568 1.00 0.00 H new ATOM 516 N ARG A 35 1.960 12.536 -1.677 1.00 0.00 N ATOM 517 CA ARG A 35 1.453 12.872 -3.003 1.00 0.00 C ATOM 518 C ARG A 35 0.654 14.175 -2.957 1.00 0.00 C ATOM 519 O ARG A 35 0.866 15.062 -3.783 1.00 0.00 O ATOM 520 CB ARG A 35 0.603 11.707 -3.530 1.00 0.00 C ATOM 521 CG ARG A 35 0.188 11.901 -4.994 1.00 0.00 C ATOM 522 CD ARG A 35 -0.700 10.751 -5.477 1.00 0.00 C ATOM 523 NE ARG A 35 0.009 9.467 -5.421 1.00 0.00 N ATOM 524 CZ ARG A 35 -0.533 8.274 -5.710 1.00 0.00 C ATOM 525 NH1 ARG A 35 -1.819 8.174 -6.075 1.00 0.00 N ATOM 526 NH2 ARG A 35 0.226 7.174 -5.633 1.00 0.00 N ATOM 0 H ARG A 35 1.653 11.621 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 35 2.288 13.029 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.166 10.778 -3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.290 11.604 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.346 12.845 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.077 11.965 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.598 10.700 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.025 10.945 -6.499 1.00 0.00 H new ATOM 0 HE ARG A 35 0.990 9.483 -5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.398 9.011 -6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.218 7.261 -6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.205 7.248 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.175 6.262 -5.850 1.00 0.00 H new ATOM 540 N CYS A 36 -0.257 14.291 -1.984 1.00 0.00 N ATOM 541 CA CYS A 36 -1.065 15.486 -1.800 1.00 0.00 C ATOM 542 C CYS A 36 -0.193 16.706 -1.484 1.00 0.00 C ATOM 543 O CYS A 36 -0.393 17.764 -2.072 1.00 0.00 O ATOM 544 CB CYS A 36 -2.117 15.255 -0.708 1.00 0.00 C ATOM 545 SG CYS A 36 -3.283 13.896 -0.994 1.00 0.00 S ATOM 0 H CYS A 36 -0.449 13.554 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.584 15.694 -2.736 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.599 15.070 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.688 16.175 -0.582 1.00 0.00 H new ATOM 550 N LYS A 37 0.774 16.564 -0.570 1.00 0.00 N ATOM 551 CA LYS A 37 1.654 17.636 -0.117 1.00 0.00 C ATOM 552 C LYS A 37 2.514 18.176 -1.257 1.00 0.00 C ATOM 553 O LYS A 37 2.712 19.387 -1.343 1.00 0.00 O ATOM 554 CB LYS A 37 2.501 17.143 1.064 1.00 0.00 C ATOM 555 CG LYS A 37 3.309 18.279 1.700 1.00 0.00 C ATOM 556 CD LYS A 37 4.054 17.765 2.939 1.00 0.00 C ATOM 557 CE LYS A 37 4.895 18.866 3.595 1.00 0.00 C ATOM 558 NZ LYS A 37 4.059 19.949 4.140 1.00 0.00 N ATOM 0 H LYS A 37 0.968 15.672 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 37 1.044 18.472 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.851 16.695 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.180 16.361 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.021 18.678 0.978 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.645 19.097 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.335 17.378 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.700 16.934 2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.496 18.434 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.589 19.278 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.655 20.611 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.595 20.456 3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.336 19.546 4.770 1.00 0.00 H new ATOM 572 N ALA A 38 3.003 17.298 -2.142 1.00 0.00 N ATOM 573 CA ALA A 38 3.692 17.706 -3.361 1.00 0.00 C ATOM 574 C ALA A 38 2.821 18.649 -4.202 1.00 0.00 C ATOM 575 O ALA A 38 3.339 19.566 -4.836 1.00 0.00 O ATOM 576 CB ALA A 38 4.097 16.468 -4.165 1.00 0.00 C ATOM 0 H ALA A 38 2.929 16.287 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 38 4.592 18.256 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.611 16.777 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.762 15.846 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.206 15.897 -4.428 1.00 0.00 H new ATOM 582 N ARG A 39 1.499 18.435 -4.179 1.00 0.00 N ATOM 583 CA ARG A 39 0.509 19.221 -4.905 1.00 0.00 C ATOM 584 C ARG A 39 -0.156 20.259 -3.983 1.00 0.00 C ATOM 585 O ARG A 39 -1.209 20.792 -4.324 1.00 0.00 O ATOM 586 CB ARG A 39 -0.524 18.255 -5.506 1.00 0.00 C ATOM 587 CG ARG A 39 0.120 17.335 -6.553 1.00 0.00 C ATOM 588 CD ARG A 39 -0.771 16.118 -6.826 1.00 0.00 C ATOM 589 NE ARG A 39 -0.197 15.249 -7.862 1.00 0.00 N ATOM 590 CZ ARG A 39 0.893 14.474 -7.722 1.00 0.00 C ATOM 591 NH1 ARG A 39 1.561 14.414 -6.561 1.00 0.00 N ATOM 592 NH2 ARG A 39 1.320 13.747 -8.762 1.00 0.00 N ATOM 0 H ARG A 39 1.081 17.682 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 39 0.991 19.781 -5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.968 17.653 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.333 18.823 -5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.283 17.887 -7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.098 17.005 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.903 15.549 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.760 16.453 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.667 15.232 -8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.245 14.963 -5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.385 13.819 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.820 13.784 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.146 13.156 -8.666 1.00 0.00 H new ATOM 606 N GLN A 40 0.466 20.560 -2.832 1.00 0.00 N ATOM 607 CA GLN A 40 0.058 21.585 -1.878 1.00 0.00 C ATOM 608 C GLN A 40 -1.339 21.327 -1.298 1.00 0.00 C ATOM 609 O GLN A 40 -2.149 22.245 -1.177 1.00 0.00 O ATOM 610 CB GLN A 40 0.198 22.989 -2.496 1.00 0.00 C ATOM 611 CG GLN A 40 1.518 23.201 -3.256 1.00 0.00 C ATOM 612 CD GLN A 40 2.744 22.827 -2.425 1.00 0.00 C ATOM 613 OE1 GLN A 40 2.990 23.423 -1.379 1.00 0.00 O ATOM 614 NE2 GLN A 40 3.518 21.840 -2.883 1.00 0.00 N ATOM 0 H GLN A 40 1.308 20.067 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 40 0.737 21.534 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.635 23.161 -3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.121 23.734 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.507 22.605 -4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.594 24.245 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.281 21.369 -3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.347 21.557 -2.360 1.00 0.00 H new ATOM 623 N LEU A 41 -1.603 20.069 -0.931 1.00 0.00 N ATOM 624 CA LEU A 41 -2.844 19.584 -0.338 1.00 0.00 C ATOM 625 C LEU A 41 -2.488 18.583 0.768 1.00 0.00 C ATOM 626 O LEU A 41 -1.312 18.311 1.000 1.00 0.00 O ATOM 627 CB LEU A 41 -3.698 18.918 -1.434 1.00 0.00 C ATOM 628 CG LEU A 41 -4.201 19.872 -2.532 1.00 0.00 C ATOM 629 CD1 LEU A 41 -4.832 19.058 -3.666 1.00 0.00 C ATOM 630 CD2 LEU A 41 -5.237 20.874 -2.009 1.00 0.00 C ATOM 0 H LEU A 41 -0.916 19.324 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.419 20.403 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.111 18.127 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.559 18.442 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.339 20.436 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.188 19.733 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.088 18.381 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.669 18.479 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.559 21.523 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.097 20.335 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.792 21.478 -1.218 1.00 0.00 H new ATOM 642 N GLU A 42 -3.493 18.025 1.453 1.00 0.00 N ATOM 643 CA GLU A 42 -3.312 16.967 2.443 1.00 0.00 C ATOM 644 C GLU A 42 -4.349 15.870 2.215 1.00 0.00 C ATOM 645 O GLU A 42 -5.450 16.138 1.738 1.00 0.00 O ATOM 646 CB GLU A 42 -3.411 17.529 3.866 1.00 0.00 C ATOM 647 CG GLU A 42 -2.177 18.370 4.220 1.00 0.00 C ATOM 648 CD GLU A 42 -2.265 18.946 5.630 1.00 0.00 C ATOM 649 OE1 GLU A 42 -2.523 18.152 6.560 1.00 0.00 O ATOM 650 OE2 GLU A 42 -2.065 20.174 5.757 1.00 0.00 O ATOM 0 H GLU A 42 -4.467 18.302 1.331 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.316 16.539 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.309 18.141 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.511 16.709 4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.282 17.754 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.074 19.183 3.502 1.00 0.00 H new ATOM 657 N LEU A 43 -3.983 14.630 2.555 1.00 0.00 N ATOM 658 CA LEU A 43 -4.824 13.461 2.353 1.00 0.00 C ATOM 659 C LEU A 43 -5.929 13.419 3.405 1.00 0.00 C ATOM 660 O LEU A 43 -5.645 13.443 4.602 1.00 0.00 O ATOM 661 CB LEU A 43 -3.960 12.194 2.445 1.00 0.00 C ATOM 662 CG LEU A 43 -4.715 10.890 2.130 1.00 0.00 C ATOM 663 CD1 LEU A 43 -4.885 10.721 0.617 1.00 0.00 C ATOM 664 CD2 LEU A 43 -3.933 9.694 2.681 1.00 0.00 C ATOM 0 H LEU A 43 -3.082 14.415 2.983 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.286 13.515 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.120 12.290 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.542 12.125 3.449 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.698 10.939 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.421 9.794 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.451 11.563 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.904 10.686 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.471 8.773 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.946 9.660 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.825 9.796 3.761 1.00 0.00 H new ATOM 676 N ASN A 44 -7.183 13.321 2.953 1.00 0.00 N ATOM 677 CA ASN A 44 -8.315 13.028 3.815 1.00 0.00 C ATOM 678 C ASN A 44 -8.413 11.508 3.829 1.00 0.00 C ATOM 679 O ASN A 44 -8.953 10.933 2.892 1.00 0.00 O ATOM 680 CB ASN A 44 -9.588 13.666 3.241 1.00 0.00 C ATOM 681 CG ASN A 44 -10.860 13.242 3.981 1.00 0.00 C ATOM 682 OD1 ASN A 44 -10.808 12.589 5.021 1.00 0.00 O ATOM 683 ND2 ASN A 44 -12.019 13.615 3.436 1.00 0.00 N ATOM 0 H ASN A 44 -7.435 13.445 1.972 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.195 13.428 4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.494 14.751 3.284 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.680 13.396 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.899 13.359 3.884 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.025 14.157 2.572 1.00 0.00 H new ATOM 690 N GLU A 45 -7.875 10.864 4.871 1.00 0.00 N ATOM 691 CA GLU A 45 -7.695 9.415 4.940 1.00 0.00 C ATOM 692 C GLU A 45 -9.015 8.629 4.840 1.00 0.00 C ATOM 693 O GLU A 45 -8.992 7.428 4.590 1.00 0.00 O ATOM 694 CB GLU A 45 -6.892 9.073 6.210 1.00 0.00 C ATOM 695 CG GLU A 45 -6.009 7.820 6.091 1.00 0.00 C ATOM 696 CD GLU A 45 -6.784 6.505 6.131 1.00 0.00 C ATOM 697 OE1 GLU A 45 -7.552 6.325 7.101 1.00 0.00 O ATOM 698 OE2 GLU A 45 -6.592 5.700 5.193 1.00 0.00 O ATOM 0 H GLU A 45 -7.547 11.349 5.706 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.130 9.097 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.260 9.924 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.588 8.934 7.037 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.449 7.871 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.280 7.824 6.901 1.00 0.00 H new ATOM 705 N ARG A 46 -10.172 9.285 4.999 1.00 0.00 N ATOM 706 CA ARG A 46 -11.462 8.609 4.967 1.00 0.00 C ATOM 707 C ARG A 46 -11.852 8.324 3.515 1.00 0.00 C ATOM 708 O ARG A 46 -12.271 7.215 3.190 1.00 0.00 O ATOM 709 CB ARG A 46 -12.531 9.486 5.637 1.00 0.00 C ATOM 710 CG ARG A 46 -12.128 10.027 7.017 1.00 0.00 C ATOM 711 CD ARG A 46 -11.698 8.925 7.993 1.00 0.00 C ATOM 712 NE ARG A 46 -11.384 9.480 9.315 1.00 0.00 N ATOM 713 CZ ARG A 46 -10.260 10.145 9.633 1.00 0.00 C ATOM 714 NH1 ARG A 46 -9.307 10.370 8.718 1.00 0.00 N ATOM 715 NH2 ARG A 46 -10.089 10.590 10.885 1.00 0.00 N ATOM 0 H ARG A 46 -10.233 10.292 5.152 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.390 7.668 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.758 10.327 4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.448 8.906 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.310 10.738 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.967 10.576 7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.494 8.186 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.825 8.405 7.597 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.076 9.350 10.053 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.428 10.035 7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.460 10.877 8.977 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.809 10.423 11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.239 11.096 11.135 1.00 0.00 H new ATOM 729 N THR A 47 -11.697 9.329 2.647 1.00 0.00 N ATOM 730 CA THR A 47 -11.959 9.237 1.218 1.00 0.00 C ATOM 731 C THR A 47 -10.707 8.801 0.443 1.00 0.00 C ATOM 732 O THR A 47 -10.816 8.281 -0.666 1.00 0.00 O ATOM 733 CB THR A 47 -12.426 10.613 0.720 1.00 0.00 C ATOM 734 OG1 THR A 47 -11.406 11.569 0.931 1.00 0.00 O ATOM 735 CG2 THR A 47 -13.700 11.083 1.432 1.00 0.00 C ATOM 0 H THR A 47 -11.376 10.254 2.934 1.00 0.00 H new ATOM 0 HA THR A 47 -12.729 8.485 1.048 1.00 0.00 H new ATOM 0 HB THR A 47 -12.647 10.514 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.707 12.445 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.992 12.060 1.047 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.502 10.367 1.252 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.512 11.156 2.503 1.00 0.00 H new ATOM 743 N CYS A 48 -9.527 9.039 1.027 1.00 0.00 N ATOM 744 CA CYS A 48 -8.211 8.942 0.413 1.00 0.00 C ATOM 745 C CYS A 48 -8.145 9.751 -0.879 1.00 0.00 C ATOM 746 O CYS A 48 -7.652 9.286 -1.904 1.00 0.00 O ATOM 747 CB CYS A 48 -7.723 7.497 0.312 1.00 0.00 C ATOM 748 SG CYS A 48 -7.196 6.863 1.923 1.00 0.00 S ATOM 0 H CYS A 48 -9.470 9.323 2.005 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.482 9.411 1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.521 6.869 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.893 7.440 -0.392 1.00 0.00 H new ATOM 753 N ARG A 49 -8.631 10.993 -0.789 1.00 0.00 N ATOM 754 CA ARG A 49 -8.540 12.022 -1.810 1.00 0.00 C ATOM 755 C ARG A 49 -7.800 13.214 -1.201 1.00 0.00 C ATOM 756 O ARG A 49 -7.757 13.360 0.022 1.00 0.00 O ATOM 757 CB ARG A 49 -9.948 12.401 -2.288 1.00 0.00 C ATOM 758 CG ARG A 49 -10.585 11.245 -3.071 1.00 0.00 C ATOM 759 CD ARG A 49 -12.046 11.552 -3.416 1.00 0.00 C ATOM 760 NE ARG A 49 -12.607 10.566 -4.350 1.00 0.00 N ATOM 761 CZ ARG A 49 -12.943 9.297 -4.067 1.00 0.00 C ATOM 762 NH1 ARG A 49 -12.794 8.790 -2.837 1.00 0.00 N ATOM 763 NH2 ARG A 49 -13.434 8.524 -5.043 1.00 0.00 N ATOM 0 H ARG A 49 -9.122 11.317 0.044 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.991 11.670 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.572 12.654 -1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.897 13.289 -2.918 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.021 11.068 -3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.532 10.330 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.640 11.565 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.114 12.547 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.756 10.877 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.417 9.371 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.057 7.823 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.548 8.901 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.694 7.558 -4.846 1.00 0.00 H new ATOM 777 N CYS A 50 -7.211 14.061 -2.052 1.00 0.00 N ATOM 778 CA CYS A 50 -6.438 15.212 -1.609 1.00 0.00 C ATOM 779 C CYS A 50 -7.378 16.406 -1.459 1.00 0.00 C ATOM 780 O CYS A 50 -8.106 16.743 -2.391 1.00 0.00 O ATOM 781 CB CYS A 50 -5.322 15.529 -2.610 1.00 0.00 C ATOM 782 SG CYS A 50 -4.060 14.252 -2.860 1.00 0.00 S ATOM 0 H CYS A 50 -7.260 13.962 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.971 14.991 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.782 15.745 -3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.822 16.441 -2.284 1.00 0.00 H new ATOM 787 N ASP A 51 -7.360 17.028 -0.276 1.00 0.00 N ATOM 788 CA ASP A 51 -8.209 18.151 0.099 1.00 0.00 C ATOM 789 C ASP A 51 -7.344 19.268 0.683 1.00 0.00 C ATOM 790 O ASP A 51 -6.140 19.092 0.867 1.00 0.00 O ATOM 791 CB ASP A 51 -9.265 17.673 1.106 1.00 0.00 C ATOM 792 CG ASP A 51 -10.232 16.675 0.472 1.00 0.00 C ATOM 793 OD1 ASP A 51 -11.236 17.146 -0.105 1.00 0.00 O ATOM 794 OD2 ASP A 51 -9.953 15.461 0.573 1.00 0.00 O ATOM 0 H ASP A 51 -6.727 16.748 0.473 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.726 18.545 -0.776 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.771 17.210 1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.822 18.530 1.485 1.00 0.00 H new ATOM 799 N LYS A 52 -7.959 20.424 0.964 1.00 0.00 N ATOM 800 CA LYS A 52 -7.272 21.612 1.457 1.00 0.00 C ATOM 801 C LYS A 52 -6.405 21.297 2.687 1.00 0.00 C ATOM 802 O LYS A 52 -6.798 20.464 3.504 1.00 0.00 O ATOM 803 CB LYS A 52 -8.286 22.739 1.716 1.00 0.00 C ATOM 804 CG LYS A 52 -9.071 22.658 3.035 1.00 0.00 C ATOM 805 CD LYS A 52 -9.985 21.433 3.167 1.00 0.00 C ATOM 806 CE LYS A 52 -10.703 21.420 4.522 1.00 0.00 C ATOM 807 NZ LYS A 52 -11.588 22.584 4.697 1.00 0.00 N ATOM 0 H LYS A 52 -8.964 20.556 0.851 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.582 21.961 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.754 23.690 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.000 22.753 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.362 22.656 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.677 23.558 3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.721 21.437 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.396 20.523 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.288 20.505 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.963 21.405 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.200 22.434 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.013 23.439 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.177 22.703 3.848 1.00 0.00 H new ATOM 821 N PRO A 53 -5.226 21.926 2.830 1.00 0.00 N ATOM 822 CA PRO A 53 -4.281 21.590 3.882 1.00 0.00 C ATOM 823 C PRO A 53 -4.848 21.931 5.263 1.00 0.00 C ATOM 824 O PRO A 53 -5.000 21.043 6.099 1.00 0.00 O ATOM 825 CB PRO A 53 -2.992 22.348 3.545 1.00 0.00 C ATOM 826 CG PRO A 53 -3.454 23.510 2.666 1.00 0.00 C ATOM 827 CD PRO A 53 -4.680 22.946 1.949 1.00 0.00 C ATOM 0 HA PRO A 53 -4.078 20.520 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.494 22.705 4.446 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.282 21.710 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.705 24.388 3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.680 23.813 1.961 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.414 23.729 1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.406 22.521 0.983 1.00 0.00 H new ATOM 835 N ARG A 54 -5.167 23.211 5.489 1.00 0.00 N ATOM 836 CA ARG A 54 -5.838 23.703 6.684 1.00 0.00 C ATOM 837 C ARG A 54 -7.249 24.110 6.273 1.00 0.00 C ATOM 838 O ARG A 54 -8.223 23.451 6.634 1.00 0.00 O ATOM 839 CB ARG A 54 -5.085 24.913 7.258 1.00 0.00 C ATOM 840 CG ARG A 54 -3.882 24.552 8.142 1.00 0.00 C ATOM 841 CD ARG A 54 -2.766 23.802 7.408 1.00 0.00 C ATOM 842 NE ARG A 54 -1.543 23.766 8.219 1.00 0.00 N ATOM 843 CZ ARG A 54 -0.421 23.102 7.896 1.00 0.00 C ATOM 844 NH1 ARG A 54 -0.357 22.354 6.786 1.00 0.00 N ATOM 845 NH2 ARG A 54 0.651 23.189 8.695 1.00 0.00 N ATOM 0 H ARG A 54 -4.956 23.951 4.820 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.866 22.933 7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.740 25.535 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.781 25.515 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.470 25.467 8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.228 23.941 8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.090 22.786 7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.561 24.288 6.454 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.545 24.286 9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.168 22.283 6.172 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.503 21.856 6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.611 23.756 9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.507 22.688 8.457 1.00 0.00 H new ATOM 859 N ARG A 55 -7.334 25.204 5.509 1.00 0.00 N ATOM 860 CA ARG A 55 -8.556 25.743 4.930 1.00 0.00 C ATOM 861 C ARG A 55 -8.279 26.115 3.472 1.00 0.00 C ATOM 862 O ARG A 55 -7.086 26.305 3.141 1.00 0.00 O ATOM 863 CB ARG A 55 -9.021 26.975 5.721 1.00 0.00 C ATOM 864 CG ARG A 55 -9.419 26.674 7.174 1.00 0.00 C ATOM 865 CD ARG A 55 -10.690 25.822 7.270 1.00 0.00 C ATOM 866 NE ARG A 55 -11.101 25.634 8.667 1.00 0.00 N ATOM 867 CZ ARG A 55 -10.595 24.744 9.536 1.00 0.00 C ATOM 868 NH1 ARG A 55 -9.616 23.902 9.177 1.00 0.00 N ATOM 869 NH2 ARG A 55 -11.082 24.702 10.783 1.00 0.00 N ATOM 870 OXT ARG A 55 -9.267 26.202 2.712 1.00 0.00 O ATOM 0 H ARG A 55 -6.512 25.759 5.270 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.349 24.997 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.222 27.716 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.872 27.423 5.208 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.600 26.156 7.672 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.573 27.612 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.495 26.302 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.516 24.851 6.806 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.845 26.240 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.242 23.930 8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.245 23.233 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.827 25.341 11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.708 24.031 11.454 1.00 0.00 H new TER 883 ARG A 55