USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 358 hydrogens (1 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 29 GLN : amide:sc= 0.407 K(o=0.41,f=-4.9!) USER MOD Set 1.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.926 K(o=2.2,f=-4.7!) USER MOD Set 2.2: A 6 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.3) USER MOD Set 3.1: A 1 ASP N :NH3+ -176:sc= 1.66 (180deg=0.612) USER MOD Set 3.2: A 20 GLN : amide:sc= 1.39 K(o=3,f=-8.3!) USER MOD Single : A 4 SER OG : rot 87:sc= 0.987 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.93) USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 2.41 (180deg=0.667) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 2.01 (180deg=1.47) USER MOD Single : A 26 SER OG : rot -127:sc= 0.746 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 SER OG : rot -127:sc= 0.926 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 35 TYR OH : rot 156:sc= 0.513 USER MOD Single : A 36 THR OG1 : rot 33:sc= 1.2 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 2 (180deg=1.52) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 52:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 4.243 0.561 -10.923 1.00 0.00 N ATOM 2 CA ASP A 1 5.544 0.708 -11.595 1.00 0.00 C ATOM 3 C ASP A 1 6.580 1.273 -10.628 1.00 0.00 C ATOM 4 O ASP A 1 7.585 0.624 -10.343 1.00 0.00 O ATOM 5 CB ASP A 1 5.416 1.563 -12.857 1.00 0.00 C ATOM 6 CG ASP A 1 6.768 1.746 -13.537 1.00 0.00 C ATOM 7 OD1 ASP A 1 7.155 0.828 -14.290 1.00 0.00 O ATOM 8 OD2 ASP A 1 7.394 2.798 -13.285 1.00 0.00 O ATOM 0 H1 ASP A 1 3.566 0.113 -11.572 1.00 0.00 H new ATOM 0 H2 ASP A 1 4.355 -0.032 -10.076 1.00 0.00 H new ATOM 0 H3 ASP A 1 3.888 1.498 -10.645 1.00 0.00 H new ATOM 0 HA ASP A 1 5.887 -0.277 -11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 1 4.718 1.092 -13.549 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.001 2.537 -12.599 1.00 0.00 H new ATOM 15 N GLN A 2 6.302 2.462 -10.084 1.00 0.00 N ATOM 16 CA GLN A 2 7.031 3.004 -8.949 1.00 0.00 C ATOM 17 C GLN A 2 6.493 2.289 -7.710 1.00 0.00 C ATOM 18 O GLN A 2 5.279 2.114 -7.587 1.00 0.00 O ATOM 19 CB GLN A 2 6.798 4.521 -8.886 1.00 0.00 C ATOM 20 CG GLN A 2 7.942 5.289 -8.216 1.00 0.00 C ATOM 21 CD GLN A 2 8.049 4.988 -6.726 1.00 0.00 C ATOM 22 OE1 GLN A 2 7.118 5.258 -5.971 1.00 0.00 O ATOM 23 NE2 GLN A 2 9.184 4.434 -6.302 1.00 0.00 N ATOM 0 H GLN A 2 5.560 3.073 -10.425 1.00 0.00 H new ATOM 0 HA GLN A 2 8.107 2.847 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.660 4.901 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.873 4.716 -8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.883 5.033 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.790 6.359 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.930 4.228 -6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.307 4.216 -5.313 1.00 0.00 H new ATOM 32 N GLU A 3 7.383 1.837 -6.817 1.00 0.00 N ATOM 33 CA GLU A 3 6.986 0.986 -5.707 1.00 0.00 C ATOM 34 C GLU A 3 6.019 1.698 -4.764 1.00 0.00 C ATOM 35 O GLU A 3 6.008 2.925 -4.670 1.00 0.00 O ATOM 36 CB GLU A 3 8.197 0.361 -4.995 1.00 0.00 C ATOM 37 CG GLU A 3 9.307 1.325 -4.552 1.00 0.00 C ATOM 38 CD GLU A 3 8.862 2.351 -3.514 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.072 1.976 -2.619 1.00 0.00 O ATOM 40 OE2 GLU A 3 9.319 3.508 -3.634 1.00 0.00 O ATOM 0 H GLU A 3 8.380 2.051 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 3 6.429 0.145 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.837 -0.172 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.637 -0.382 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.135 0.746 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.688 1.851 -5.427 1.00 0.00 H new ATOM 47 N SER A 4 5.157 0.908 -4.116 1.00 0.00 N ATOM 48 CA SER A 4 4.072 1.380 -3.270 1.00 0.00 C ATOM 49 C SER A 4 3.100 2.316 -4.004 1.00 0.00 C ATOM 50 O SER A 4 2.355 3.043 -3.350 1.00 0.00 O ATOM 51 CB SER A 4 4.621 2.009 -1.983 1.00 0.00 C ATOM 52 OG SER A 4 5.631 1.201 -1.417 1.00 0.00 O ATOM 0 H SER A 4 5.202 -0.109 -4.172 1.00 0.00 H new ATOM 0 HA SER A 4 3.480 0.507 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.021 2.999 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.812 2.142 -1.265 1.00 0.00 H new ATOM 0 HG SER A 4 6.497 1.437 -1.810 1.00 0.00 H new ATOM 58 N CYS A 5 3.094 2.296 -5.348 1.00 0.00 N ATOM 59 CA CYS A 5 2.129 2.993 -6.194 1.00 0.00 C ATOM 60 C CYS A 5 2.009 4.477 -5.834 1.00 0.00 C ATOM 61 O CYS A 5 0.907 5.013 -5.728 1.00 0.00 O ATOM 62 CB CYS A 5 0.801 2.232 -6.107 1.00 0.00 C ATOM 63 SG CYS A 5 -0.616 2.727 -7.121 1.00 0.00 S ATOM 0 H CYS A 5 3.786 1.775 -5.886 1.00 0.00 H new ATOM 0 HA CYS A 5 2.467 2.999 -7.230 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.013 1.189 -6.340 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.479 2.267 -5.066 1.00 0.00 H new ATOM 68 N LYS A 6 3.155 5.141 -5.640 1.00 0.00 N ATOM 69 CA LYS A 6 3.203 6.548 -5.271 1.00 0.00 C ATOM 70 C LYS A 6 3.328 7.395 -6.532 1.00 0.00 C ATOM 71 O LYS A 6 2.458 8.218 -6.811 1.00 0.00 O ATOM 72 CB LYS A 6 4.366 6.815 -4.308 1.00 0.00 C ATOM 73 CG LYS A 6 4.245 5.966 -3.038 1.00 0.00 C ATOM 74 CD LYS A 6 5.281 6.357 -1.976 1.00 0.00 C ATOM 75 CE LYS A 6 6.738 6.222 -2.440 1.00 0.00 C ATOM 76 NZ LYS A 6 7.054 4.856 -2.889 1.00 0.00 N ATOM 0 H LYS A 6 4.074 4.710 -5.737 1.00 0.00 H new ATOM 0 HA LYS A 6 2.282 6.818 -4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.311 6.596 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.384 7.872 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.243 6.077 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.369 4.914 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.102 7.388 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.133 5.735 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.925 6.923 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.405 6.498 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.056 4.803 -3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.869 4.185 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.460 4.613 -3.708 1.00 0.00 H new ATOM 90 N GLY A 7 4.414 7.192 -7.286 1.00 0.00 N ATOM 91 CA GLY A 7 4.724 7.976 -8.469 1.00 0.00 C ATOM 92 C GLY A 7 3.909 7.515 -9.674 1.00 0.00 C ATOM 93 O GLY A 7 3.277 8.332 -10.340 1.00 0.00 O ATOM 0 H GLY A 7 5.105 6.469 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.521 9.029 -8.273 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.787 7.893 -8.694 1.00 0.00 H new ATOM 97 N ARG A 8 3.960 6.211 -9.971 1.00 0.00 N ATOM 98 CA ARG A 8 3.418 5.619 -11.183 1.00 0.00 C ATOM 99 C ARG A 8 2.903 4.220 -10.857 1.00 0.00 C ATOM 100 O ARG A 8 3.598 3.449 -10.196 1.00 0.00 O ATOM 101 CB ARG A 8 4.518 5.495 -12.243 1.00 0.00 C ATOM 102 CG ARG A 8 5.199 6.824 -12.597 1.00 0.00 C ATOM 103 CD ARG A 8 6.273 6.605 -13.669 1.00 0.00 C ATOM 104 NE ARG A 8 7.253 5.592 -13.254 1.00 0.00 N ATOM 105 CZ ARG A 8 8.227 5.758 -12.344 1.00 0.00 C ATOM 106 NH1 ARG A 8 8.474 6.960 -11.804 1.00 0.00 N ATOM 107 NH2 ARG A 8 8.950 4.693 -11.973 1.00 0.00 N ATOM 0 H ARG A 8 4.393 5.526 -9.352 1.00 0.00 H new ATOM 0 HA ARG A 8 2.614 6.249 -11.563 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.274 4.795 -11.887 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.089 5.066 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.456 7.536 -12.957 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.650 7.258 -11.705 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.800 6.294 -14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.785 7.546 -13.870 1.00 0.00 H new ATOM 0 HE ARG A 8 7.188 4.676 -13.699 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.918 7.768 -12.083 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.218 7.066 -11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.756 3.778 -12.380 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.694 4.797 -11.283 1.00 0.00 H new ATOM 121 N CYS A 9 1.707 3.877 -11.345 1.00 0.00 N ATOM 122 CA CYS A 9 1.167 2.533 -11.223 1.00 0.00 C ATOM 123 C CYS A 9 -0.016 2.347 -12.167 1.00 0.00 C ATOM 124 O CYS A 9 -0.797 3.270 -12.392 1.00 0.00 O ATOM 125 CB CYS A 9 0.803 2.200 -9.771 1.00 0.00 C ATOM 126 SG CYS A 9 0.159 3.581 -8.802 1.00 0.00 S ATOM 0 H CYS A 9 1.092 4.527 -11.834 1.00 0.00 H new ATOM 0 HA CYS A 9 1.942 1.826 -11.518 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.061 1.402 -9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.690 1.809 -9.272 1.00 0.00 H new ATOM 131 N THR A 10 -0.091 1.140 -12.736 1.00 0.00 N ATOM 132 CA THR A 10 -1.053 0.706 -13.741 1.00 0.00 C ATOM 133 C THR A 10 -1.600 -0.663 -13.331 1.00 0.00 C ATOM 134 O THR A 10 -2.801 -0.908 -13.420 1.00 0.00 O ATOM 135 CB THR A 10 -0.369 0.641 -15.113 1.00 0.00 C ATOM 136 OG1 THR A 10 0.808 -0.137 -15.032 1.00 0.00 O ATOM 137 CG2 THR A 10 -0.011 2.041 -15.622 1.00 0.00 C ATOM 0 H THR A 10 0.562 0.397 -12.488 1.00 0.00 H new ATOM 0 HA THR A 10 -1.880 1.412 -13.811 1.00 0.00 H new ATOM 0 HB THR A 10 -1.069 0.183 -15.812 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.237 -0.174 -15.912 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.472 1.962 -16.596 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.919 2.638 -15.715 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.669 2.521 -14.918 1.00 0.00 H new ATOM 145 N GLU A 11 -0.711 -1.528 -12.828 1.00 0.00 N ATOM 146 CA GLU A 11 -1.071 -2.690 -12.030 1.00 0.00 C ATOM 147 C GLU A 11 -1.787 -2.238 -10.751 1.00 0.00 C ATOM 148 O GLU A 11 -2.690 -2.922 -10.276 1.00 0.00 O ATOM 149 CB GLU A 11 0.174 -3.550 -11.752 1.00 0.00 C ATOM 150 CG GLU A 11 1.182 -2.981 -10.741 1.00 0.00 C ATOM 151 CD GLU A 11 1.878 -1.707 -11.214 1.00 0.00 C ATOM 152 OE1 GLU A 11 1.321 -0.619 -10.954 1.00 0.00 O ATOM 153 OE2 GLU A 11 2.956 -1.825 -11.831 1.00 0.00 O ATOM 0 H GLU A 11 0.294 -1.432 -12.971 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.768 -3.322 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.157 -4.525 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.693 -3.716 -12.696 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.665 -2.775 -9.804 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.936 -3.739 -10.529 1.00 0.00 H new ATOM 160 N GLY A 12 -1.408 -1.063 -10.231 1.00 0.00 N ATOM 161 CA GLY A 12 -2.160 -0.309 -9.243 1.00 0.00 C ATOM 162 C GLY A 12 -2.784 0.919 -9.907 1.00 0.00 C ATOM 163 O GLY A 12 -2.907 0.978 -11.128 1.00 0.00 O ATOM 0 H GLY A 12 -0.539 -0.603 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.938 -0.935 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.505 -0.002 -8.428 1.00 0.00 H new ATOM 167 N PHE A 13 -3.162 1.914 -9.102 1.00 0.00 N ATOM 168 CA PHE A 13 -3.649 3.201 -9.576 1.00 0.00 C ATOM 169 C PHE A 13 -3.379 4.230 -8.484 1.00 0.00 C ATOM 170 O PHE A 13 -3.796 4.040 -7.345 1.00 0.00 O ATOM 171 CB PHE A 13 -5.145 3.113 -9.916 1.00 0.00 C ATOM 172 CG PHE A 13 -5.855 4.432 -10.183 1.00 0.00 C ATOM 173 CD1 PHE A 13 -5.186 5.519 -10.775 1.00 0.00 C ATOM 174 CD2 PHE A 13 -7.202 4.575 -9.804 1.00 0.00 C ATOM 175 CE1 PHE A 13 -5.824 6.765 -10.887 1.00 0.00 C ATOM 176 CE2 PHE A 13 -7.848 5.815 -9.936 1.00 0.00 C ATOM 177 CZ PHE A 13 -7.153 6.915 -10.462 1.00 0.00 C ATOM 0 H PHE A 13 -3.136 1.842 -8.085 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.135 3.498 -10.490 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.259 2.479 -10.795 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.654 2.611 -9.093 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.179 5.395 -11.144 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.742 3.727 -9.410 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.291 7.609 -11.301 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.879 5.922 -9.633 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.640 7.876 -10.540 1.00 0.00 H new ATOM 187 N ASN A 14 -2.659 5.300 -8.837 1.00 0.00 N ATOM 188 CA ASN A 14 -2.243 6.346 -7.917 1.00 0.00 C ATOM 189 C ASN A 14 -3.449 6.954 -7.205 1.00 0.00 C ATOM 190 O ASN A 14 -4.531 7.040 -7.781 1.00 0.00 O ATOM 191 CB ASN A 14 -1.477 7.429 -8.685 1.00 0.00 C ATOM 192 CG ASN A 14 -0.274 6.851 -9.422 1.00 0.00 C ATOM 193 OD1 ASN A 14 -0.390 6.429 -10.570 1.00 0.00 O ATOM 194 ND2 ASN A 14 0.882 6.811 -8.761 1.00 0.00 N ATOM 0 H ASN A 14 -2.346 5.460 -9.794 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.590 5.910 -7.161 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.145 7.910 -9.399 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.143 8.200 -7.991 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.711 6.420 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.938 7.172 -7.809 1.00 0.00 H new ATOM 201 N VAL A 15 -3.238 7.366 -5.948 1.00 0.00 N ATOM 202 CA VAL A 15 -4.220 7.976 -5.058 1.00 0.00 C ATOM 203 C VAL A 15 -5.176 6.915 -4.512 1.00 0.00 C ATOM 204 O VAL A 15 -5.178 6.660 -3.308 1.00 0.00 O ATOM 205 CB VAL A 15 -4.945 9.177 -5.698 1.00 0.00 C ATOM 206 CG1 VAL A 15 -5.829 9.874 -4.656 1.00 0.00 C ATOM 207 CG2 VAL A 15 -3.939 10.196 -6.247 1.00 0.00 C ATOM 0 H VAL A 15 -2.324 7.275 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.683 8.399 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.557 8.799 -6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.337 10.721 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.569 9.169 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.210 10.228 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.476 11.033 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.310 10.560 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.315 9.720 -7.004 1.00 0.00 H new ATOM 217 N ASP A 16 -5.971 6.312 -5.405 1.00 0.00 N ATOM 218 CA ASP A 16 -6.901 5.228 -5.116 1.00 0.00 C ATOM 219 C ASP A 16 -6.212 4.151 -4.284 1.00 0.00 C ATOM 220 O ASP A 16 -6.590 3.907 -3.140 1.00 0.00 O ATOM 221 CB ASP A 16 -7.405 4.651 -6.446 1.00 0.00 C ATOM 222 CG ASP A 16 -8.141 3.326 -6.267 1.00 0.00 C ATOM 223 OD1 ASP A 16 -9.075 3.298 -5.440 1.00 0.00 O ATOM 224 OD2 ASP A 16 -7.752 2.357 -6.954 1.00 0.00 O ATOM 0 H ASP A 16 -5.979 6.582 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.746 5.603 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.071 5.371 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.560 4.505 -7.119 1.00 0.00 H new ATOM 229 N LYS A 17 -5.185 3.537 -4.872 1.00 0.00 N ATOM 230 CA LYS A 17 -4.310 2.594 -4.208 1.00 0.00 C ATOM 231 C LYS A 17 -3.006 3.295 -3.847 1.00 0.00 C ATOM 232 O LYS A 17 -2.592 4.242 -4.514 1.00 0.00 O ATOM 233 CB LYS A 17 -4.046 1.404 -5.130 1.00 0.00 C ATOM 234 CG LYS A 17 -5.250 0.460 -5.156 1.00 0.00 C ATOM 235 CD LYS A 17 -5.028 -0.650 -6.186 1.00 0.00 C ATOM 236 CE LYS A 17 -5.559 -0.263 -7.570 1.00 0.00 C ATOM 237 NZ LYS A 17 -7.031 -0.267 -7.616 1.00 0.00 N ATOM 0 H LYS A 17 -4.939 3.692 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.779 2.226 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.835 1.759 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.162 0.864 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.402 0.025 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.154 1.018 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.963 -0.873 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.523 -1.561 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.190 0.728 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.171 -0.958 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.350 -0.715 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.402 -0.800 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.382 0.711 -7.578 1.00 0.00 H new ATOM 251 N LYS A 18 -2.366 2.803 -2.782 1.00 0.00 N ATOM 252 CA LYS A 18 -1.021 3.181 -2.382 1.00 0.00 C ATOM 253 C LYS A 18 -0.222 1.891 -2.188 1.00 0.00 C ATOM 254 O LYS A 18 0.537 1.740 -1.234 1.00 0.00 O ATOM 255 CB LYS A 18 -1.073 4.065 -1.130 1.00 0.00 C ATOM 256 CG LYS A 18 -1.889 5.335 -1.412 1.00 0.00 C ATOM 257 CD LYS A 18 -1.844 6.292 -0.217 1.00 0.00 C ATOM 258 CE LYS A 18 -2.641 7.573 -0.490 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.073 7.308 -0.720 1.00 0.00 N ATOM 0 H LYS A 18 -2.787 2.112 -2.161 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.523 3.781 -3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.520 3.512 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.062 4.334 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.497 5.835 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.923 5.067 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.246 5.793 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.808 6.548 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.532 8.252 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.224 8.078 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.615 8.185 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.211 6.967 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.404 6.585 -0.049 1.00 0.00 H new ATOM 273 N CYS A 19 -0.427 0.962 -3.127 1.00 0.00 N ATOM 274 CA CYS A 19 0.234 -0.321 -3.242 1.00 0.00 C ATOM 275 C CYS A 19 -0.005 -0.811 -4.670 1.00 0.00 C ATOM 276 O CYS A 19 -1.047 -0.519 -5.254 1.00 0.00 O ATOM 277 CB CYS A 19 -0.252 -1.306 -2.167 1.00 0.00 C ATOM 278 SG CYS A 19 -1.875 -0.992 -1.409 1.00 0.00 S ATOM 0 H CYS A 19 -1.108 1.106 -3.873 1.00 0.00 H new ATOM 0 HA CYS A 19 1.306 -0.234 -3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -0.275 -2.302 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.492 -1.328 -1.371 1.00 0.00 H new ATOM 283 N GLN A 20 0.997 -1.472 -5.261 1.00 0.00 N ATOM 284 CA GLN A 20 1.022 -1.782 -6.683 1.00 0.00 C ATOM 285 C GLN A 20 0.001 -2.867 -7.016 1.00 0.00 C ATOM 286 O GLN A 20 -1.063 -2.569 -7.550 1.00 0.00 O ATOM 287 CB GLN A 20 2.441 -2.189 -7.107 1.00 0.00 C ATOM 288 CG GLN A 20 3.417 -1.010 -7.057 1.00 0.00 C ATOM 289 CD GLN A 20 4.773 -1.420 -7.622 1.00 0.00 C ATOM 290 OE1 GLN A 20 5.127 -1.034 -8.732 1.00 0.00 O ATOM 291 NE2 GLN A 20 5.540 -2.205 -6.867 1.00 0.00 N ATOM 0 H GLN A 20 1.817 -1.807 -4.756 1.00 0.00 H new ATOM 0 HA GLN A 20 0.744 -0.891 -7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.800 -2.984 -6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.415 -2.595 -8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.016 -0.173 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.532 -0.668 -6.028 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.213 -2.507 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.454 -2.504 -7.207 1.00 0.00 H new ATOM 300 N CYS A 21 0.341 -4.125 -6.724 1.00 0.00 N ATOM 301 CA CYS A 21 -0.491 -5.281 -7.000 1.00 0.00 C ATOM 302 C CYS A 21 0.084 -6.434 -6.191 1.00 0.00 C ATOM 303 O CYS A 21 1.220 -6.838 -6.432 1.00 0.00 O ATOM 304 CB CYS A 21 -0.495 -5.598 -8.499 1.00 0.00 C ATOM 305 SG CYS A 21 -1.540 -7.005 -8.949 1.00 0.00 S ATOM 0 H CYS A 21 1.226 -4.365 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.528 -5.097 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.833 -4.718 -9.045 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.527 -5.800 -8.820 1.00 0.00 H new ATOM 310 N ASP A 22 -0.676 -6.899 -5.193 1.00 0.00 N ATOM 311 CA ASP A 22 -0.211 -7.777 -4.129 1.00 0.00 C ATOM 312 C ASP A 22 0.843 -7.036 -3.309 1.00 0.00 C ATOM 313 O ASP A 22 0.490 -6.328 -2.368 1.00 0.00 O ATOM 314 CB ASP A 22 0.220 -9.151 -4.660 1.00 0.00 C ATOM 315 CG ASP A 22 -0.928 -9.821 -5.408 1.00 0.00 C ATOM 316 OD1 ASP A 22 -1.876 -10.257 -4.720 1.00 0.00 O ATOM 317 OD2 ASP A 22 -0.845 -9.872 -6.655 1.00 0.00 O ATOM 0 H ASP A 22 -1.664 -6.663 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.029 -8.019 -3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.077 -9.038 -5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.540 -9.783 -3.832 1.00 0.00 H new ATOM 322 N GLU A 23 2.120 -7.162 -3.684 1.00 0.00 N ATOM 323 CA GLU A 23 3.226 -6.403 -3.120 1.00 0.00 C ATOM 324 C GLU A 23 3.333 -6.662 -1.610 1.00 0.00 C ATOM 325 O GLU A 23 3.775 -7.737 -1.207 1.00 0.00 O ATOM 326 CB GLU A 23 3.080 -4.926 -3.540 1.00 0.00 C ATOM 327 CG GLU A 23 4.311 -4.071 -3.217 1.00 0.00 C ATOM 328 CD GLU A 23 4.102 -2.608 -3.600 1.00 0.00 C ATOM 329 OE1 GLU A 23 2.982 -2.109 -3.362 1.00 0.00 O ATOM 330 OE2 GLU A 23 5.063 -2.007 -4.126 1.00 0.00 O ATOM 0 H GLU A 23 2.415 -7.815 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 23 4.187 -6.730 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.887 -4.879 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.210 -4.499 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.532 -4.140 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.177 -4.466 -3.748 1.00 0.00 H new ATOM 337 N LEU A 24 2.920 -5.694 -0.783 1.00 0.00 N ATOM 338 CA LEU A 24 2.941 -5.766 0.673 1.00 0.00 C ATOM 339 C LEU A 24 1.533 -5.987 1.225 1.00 0.00 C ATOM 340 O LEU A 24 1.383 -6.595 2.281 1.00 0.00 O ATOM 341 CB LEU A 24 3.539 -4.475 1.249 1.00 0.00 C ATOM 342 CG LEU A 24 5.049 -4.338 0.994 1.00 0.00 C ATOM 343 CD1 LEU A 24 5.480 -2.901 1.301 1.00 0.00 C ATOM 344 CD2 LEU A 24 5.866 -5.303 1.864 1.00 0.00 C ATOM 0 H LEU A 24 2.549 -4.809 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 24 3.560 -6.612 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.025 -3.618 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.355 -4.445 2.323 1.00 0.00 H new ATOM 0 HG LEU A 24 5.237 -4.585 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.550 -2.796 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.935 -2.212 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.262 -2.671 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.927 -5.174 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.677 -5.092 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.574 -6.329 1.641 1.00 0.00 H new ATOM 356 N CYS A 25 0.500 -5.507 0.519 1.00 0.00 N ATOM 357 CA CYS A 25 -0.883 -5.785 0.877 1.00 0.00 C ATOM 358 C CYS A 25 -1.150 -7.288 0.812 1.00 0.00 C ATOM 359 O CYS A 25 -1.868 -7.812 1.661 1.00 0.00 O ATOM 360 CB CYS A 25 -1.831 -5.050 -0.068 1.00 0.00 C ATOM 361 SG CYS A 25 -3.570 -5.284 0.370 1.00 0.00 S ATOM 0 H CYS A 25 0.606 -4.920 -0.309 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.057 -5.436 1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.597 -3.985 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.666 -5.401 -1.087 1.00 0.00 H new ATOM 366 N SER A 26 -0.555 -7.934 -0.204 1.00 0.00 N ATOM 367 CA SER A 26 -0.497 -9.360 -0.512 1.00 0.00 C ATOM 368 C SER A 26 -1.108 -10.275 0.549 1.00 0.00 C ATOM 369 O SER A 26 -2.109 -10.941 0.295 1.00 0.00 O ATOM 370 CB SER A 26 0.971 -9.725 -0.769 1.00 0.00 C ATOM 371 OG SER A 26 1.796 -9.260 0.281 1.00 0.00 O ATOM 0 H SER A 26 -0.045 -7.400 -0.908 1.00 0.00 H new ATOM 0 HA SER A 26 -1.115 -9.528 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.070 -10.806 -0.864 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.298 -9.291 -1.714 1.00 0.00 H new ATOM 0 HG SER A 26 2.533 -8.732 -0.091 1.00 0.00 H new ATOM 377 N TYR A 27 -0.468 -10.314 1.721 1.00 0.00 N ATOM 378 CA TYR A 27 -0.787 -11.202 2.831 1.00 0.00 C ATOM 379 C TYR A 27 -2.273 -11.152 3.196 1.00 0.00 C ATOM 380 O TYR A 27 -2.888 -12.194 3.412 1.00 0.00 O ATOM 381 CB TYR A 27 0.092 -10.844 4.036 1.00 0.00 C ATOM 382 CG TYR A 27 1.546 -10.579 3.684 1.00 0.00 C ATOM 383 CD1 TYR A 27 2.307 -11.576 3.048 1.00 0.00 C ATOM 384 CD2 TYR A 27 2.073 -9.282 3.820 1.00 0.00 C ATOM 385 CE1 TYR A 27 3.577 -11.273 2.531 1.00 0.00 C ATOM 386 CE2 TYR A 27 3.344 -8.980 3.304 1.00 0.00 C ATOM 387 CZ TYR A 27 4.089 -9.970 2.644 1.00 0.00 C ATOM 388 OH TYR A 27 5.308 -9.670 2.110 1.00 0.00 O ATOM 0 H TYR A 27 0.320 -9.699 1.926 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.578 -12.227 2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.320 -9.960 4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.047 -11.657 4.760 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.914 -12.578 2.957 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.499 -8.517 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.160 -12.042 2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.749 -7.985 3.415 1.00 0.00 H new ATOM 0 HH TYR A 27 5.514 -8.726 2.274 1.00 0.00 H new ATOM 398 N TYR A 28 -2.842 -9.942 3.252 1.00 0.00 N ATOM 399 CA TYR A 28 -4.252 -9.719 3.523 1.00 0.00 C ATOM 400 C TYR A 28 -5.062 -9.754 2.227 1.00 0.00 C ATOM 401 O TYR A 28 -6.032 -10.505 2.135 1.00 0.00 O ATOM 402 CB TYR A 28 -4.438 -8.376 4.243 1.00 0.00 C ATOM 403 CG TYR A 28 -5.888 -7.938 4.360 1.00 0.00 C ATOM 404 CD1 TYR A 28 -6.841 -8.808 4.919 1.00 0.00 C ATOM 405 CD2 TYR A 28 -6.308 -6.725 3.784 1.00 0.00 C ATOM 406 CE1 TYR A 28 -8.208 -8.497 4.848 1.00 0.00 C ATOM 407 CE2 TYR A 28 -7.674 -6.410 3.721 1.00 0.00 C ATOM 408 CZ TYR A 28 -8.627 -7.309 4.228 1.00 0.00 C ATOM 409 OH TYR A 28 -9.956 -7.028 4.113 1.00 0.00 O ATOM 0 H TYR A 28 -2.318 -9.079 3.106 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.617 -10.517 4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.008 -8.448 5.242 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.878 -7.608 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.520 -9.718 5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.577 -6.035 3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.938 -9.172 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.993 -5.476 3.283 1.00 0.00 H new ATOM 0 HH TYR A 28 -10.442 -7.432 4.862 1.00 0.00 H new ATOM 419 N GLN A 29 -4.708 -8.902 1.257 1.00 0.00 N ATOM 420 CA GLN A 29 -5.535 -8.632 0.088 1.00 0.00 C ATOM 421 C GLN A 29 -4.639 -8.204 -1.076 1.00 0.00 C ATOM 422 O GLN A 29 -3.424 -8.135 -0.926 1.00 0.00 O ATOM 423 CB GLN A 29 -6.595 -7.589 0.488 1.00 0.00 C ATOM 424 CG GLN A 29 -7.679 -7.342 -0.564 1.00 0.00 C ATOM 425 CD GLN A 29 -8.976 -6.860 0.082 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.937 -7.617 0.181 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.014 -5.605 0.529 1.00 0.00 N ATOM 0 H GLN A 29 -3.832 -8.380 1.267 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.068 -9.518 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.073 -7.913 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.094 -6.645 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.330 -6.600 -1.282 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.866 -8.261 -1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.196 -5.003 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.861 -5.246 0.970 1.00 0.00 H new ATOM 436 N SER A 30 -5.220 -7.947 -2.251 1.00 0.00 N ATOM 437 CA SER A 30 -4.464 -7.633 -3.449 1.00 0.00 C ATOM 438 C SER A 30 -3.911 -6.207 -3.411 1.00 0.00 C ATOM 439 O SER A 30 -2.701 -6.021 -3.478 1.00 0.00 O ATOM 440 CB SER A 30 -5.352 -7.860 -4.672 1.00 0.00 C ATOM 441 OG SER A 30 -6.557 -7.136 -4.547 1.00 0.00 O ATOM 0 H SER A 30 -6.230 -7.953 -2.390 1.00 0.00 H new ATOM 0 HA SER A 30 -3.600 -8.295 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.825 -7.549 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.569 -8.923 -4.780 1.00 0.00 H new ATOM 0 HG SER A 30 -7.317 -7.742 -4.671 1.00 0.00 H new ATOM 447 N CYS A 31 -4.793 -5.201 -3.366 1.00 0.00 N ATOM 448 CA CYS A 31 -4.449 -3.823 -3.702 1.00 0.00 C ATOM 449 C CYS A 31 -3.875 -3.778 -5.116 1.00 0.00 C ATOM 450 O CYS A 31 -2.791 -3.249 -5.345 1.00 0.00 O ATOM 451 CB CYS A 31 -3.506 -3.200 -2.667 1.00 0.00 C ATOM 452 SG CYS A 31 -3.240 -1.423 -2.863 1.00 0.00 S ATOM 0 H CYS A 31 -5.768 -5.325 -3.094 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.353 -3.215 -3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.908 -3.386 -1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.542 -3.706 -2.722 1.00 0.00 H new ATOM 457 N CYS A 32 -4.627 -4.361 -6.052 1.00 0.00 N ATOM 458 CA CYS A 32 -4.333 -4.403 -7.477 1.00 0.00 C ATOM 459 C CYS A 32 -5.490 -3.717 -8.205 1.00 0.00 C ATOM 460 O CYS A 32 -6.459 -3.330 -7.551 1.00 0.00 O ATOM 461 CB CYS A 32 -4.163 -5.870 -7.890 1.00 0.00 C ATOM 462 SG CYS A 32 -3.332 -6.153 -9.474 1.00 0.00 S ATOM 0 H CYS A 32 -5.498 -4.838 -5.821 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.410 -3.881 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.602 -6.384 -7.110 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.149 -6.333 -7.931 1.00 0.00 H new ATOM 467 N THR A 33 -5.385 -3.540 -9.531 1.00 0.00 N ATOM 468 CA THR A 33 -6.347 -2.850 -10.389 1.00 0.00 C ATOM 469 C THR A 33 -7.797 -3.032 -9.932 1.00 0.00 C ATOM 470 O THR A 33 -8.490 -2.044 -9.692 1.00 0.00 O ATOM 471 CB THR A 33 -6.157 -3.322 -11.838 1.00 0.00 C ATOM 472 OG1 THR A 33 -4.793 -3.215 -12.187 1.00 0.00 O ATOM 473 CG2 THR A 33 -6.981 -2.479 -12.815 1.00 0.00 C ATOM 0 H THR A 33 -4.585 -3.894 -10.055 1.00 0.00 H new ATOM 0 HA THR A 33 -6.150 -1.780 -10.320 1.00 0.00 H new ATOM 0 HB THR A 33 -6.494 -4.357 -11.903 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.667 -3.517 -13.111 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.823 -2.841 -13.831 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.038 -2.559 -12.562 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.670 -1.437 -12.748 1.00 0.00 H new ATOM 481 N ASP A 34 -8.233 -4.291 -9.796 1.00 0.00 N ATOM 482 CA ASP A 34 -9.582 -4.653 -9.387 1.00 0.00 C ATOM 483 C ASP A 34 -9.957 -4.033 -8.041 1.00 0.00 C ATOM 484 O ASP A 34 -11.012 -3.410 -7.928 1.00 0.00 O ATOM 485 CB ASP A 34 -9.704 -6.178 -9.324 1.00 0.00 C ATOM 486 CG ASP A 34 -11.089 -6.598 -8.843 1.00 0.00 C ATOM 487 OD1 ASP A 34 -12.000 -6.652 -9.694 1.00 0.00 O ATOM 488 OD2 ASP A 34 -11.222 -6.837 -7.622 1.00 0.00 O ATOM 0 H ASP A 34 -7.638 -5.100 -9.973 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.278 -4.258 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.514 -6.602 -10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.945 -6.579 -8.652 1.00 0.00 H new ATOM 493 N TYR A 35 -9.116 -4.222 -7.015 1.00 0.00 N ATOM 494 CA TYR A 35 -9.417 -3.733 -5.682 1.00 0.00 C ATOM 495 C TYR A 35 -9.153 -2.234 -5.591 1.00 0.00 C ATOM 496 O TYR A 35 -8.020 -1.808 -5.376 1.00 0.00 O ATOM 497 CB TYR A 35 -8.642 -4.502 -4.601 1.00 0.00 C ATOM 498 CG TYR A 35 -9.161 -4.176 -3.213 1.00 0.00 C ATOM 499 CD1 TYR A 35 -10.485 -4.531 -2.906 1.00 0.00 C ATOM 500 CD2 TYR A 35 -8.467 -3.297 -2.359 1.00 0.00 C ATOM 501 CE1 TYR A 35 -11.150 -3.935 -1.826 1.00 0.00 C ATOM 502 CE2 TYR A 35 -9.120 -2.733 -1.248 1.00 0.00 C ATOM 503 CZ TYR A 35 -10.482 -2.997 -1.025 1.00 0.00 C ATOM 504 OH TYR A 35 -11.174 -2.333 -0.054 1.00 0.00 O ATOM 0 H TYR A 35 -8.224 -4.711 -7.093 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.477 -3.907 -5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -8.728 -5.573 -4.781 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.583 -4.253 -4.663 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -10.995 -5.269 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.433 -3.056 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -12.175 -4.197 -1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.575 -2.097 -0.566 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.554 -2.035 0.644 1.00 0.00 H new ATOM 514 N THR A 36 -10.216 -1.437 -5.720 1.00 0.00 N ATOM 515 CA THR A 36 -10.179 -0.019 -5.402 1.00 0.00 C ATOM 516 C THR A 36 -9.979 0.143 -3.893 1.00 0.00 C ATOM 517 O THR A 36 -10.415 -0.707 -3.119 1.00 0.00 O ATOM 518 CB THR A 36 -11.447 0.683 -5.915 1.00 0.00 C ATOM 519 OG1 THR A 36 -11.511 2.008 -5.428 1.00 0.00 O ATOM 520 CG2 THR A 36 -12.740 -0.035 -5.515 1.00 0.00 C ATOM 0 H THR A 36 -11.125 -1.763 -6.049 1.00 0.00 H new ATOM 0 HA THR A 36 -9.341 0.462 -5.907 1.00 0.00 H new ATOM 0 HB THR A 36 -11.372 0.669 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.604 2.367 -5.335 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.597 0.512 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.736 -1.046 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.808 -0.083 -4.428 1.00 0.00 H new ATOM 528 N ALA A 37 -9.293 1.225 -3.508 1.00 0.00 N ATOM 529 CA ALA A 37 -8.859 1.568 -2.159 1.00 0.00 C ATOM 530 C ALA A 37 -7.511 0.934 -1.818 1.00 0.00 C ATOM 531 O ALA A 37 -7.141 -0.111 -2.351 1.00 0.00 O ATOM 532 CB ALA A 37 -9.909 1.267 -1.086 1.00 0.00 C ATOM 0 H ALA A 37 -9.008 1.933 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.729 2.650 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.519 1.547 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.814 1.838 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.142 0.202 -1.093 1.00 0.00 H new ATOM 538 N GLU A 38 -6.779 1.602 -0.920 1.00 0.00 N ATOM 539 CA GLU A 38 -5.416 1.280 -0.535 1.00 0.00 C ATOM 540 C GLU A 38 -5.372 0.125 0.468 1.00 0.00 C ATOM 541 O GLU A 38 -5.105 0.334 1.651 1.00 0.00 O ATOM 542 CB GLU A 38 -4.713 2.547 -0.019 1.00 0.00 C ATOM 543 CG GLU A 38 -5.544 3.355 0.989 1.00 0.00 C ATOM 544 CD GLU A 38 -4.691 4.407 1.687 1.00 0.00 C ATOM 545 OE1 GLU A 38 -3.897 4.001 2.563 1.00 0.00 O ATOM 546 OE2 GLU A 38 -4.848 5.595 1.335 1.00 0.00 O ATOM 0 H GLU A 38 -7.143 2.416 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.870 0.929 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.770 2.262 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.468 3.186 -0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.375 3.839 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.976 2.683 1.730 1.00 0.00 H new ATOM 553 N CYS A 39 -5.601 -1.098 -0.034 1.00 0.00 N ATOM 554 CA CYS A 39 -5.457 -2.371 0.669 1.00 0.00 C ATOM 555 C CYS A 39 -6.581 -2.633 1.663 1.00 0.00 C ATOM 556 O CYS A 39 -7.299 -3.621 1.536 1.00 0.00 O ATOM 557 CB CYS A 39 -4.091 -2.499 1.356 1.00 0.00 C ATOM 558 SG CYS A 39 -3.786 -4.140 2.044 1.00 0.00 S ATOM 0 H CYS A 39 -5.909 -1.227 -0.998 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.524 -3.138 -0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.307 -2.263 0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.023 -1.760 2.154 1.00 0.00 H new ATOM 563 N LYS A 40 -6.699 -1.758 2.663 1.00 0.00 N ATOM 564 CA LYS A 40 -7.664 -1.828 3.746 1.00 0.00 C ATOM 565 C LYS A 40 -9.087 -1.928 3.183 1.00 0.00 C ATOM 566 O LYS A 40 -9.336 -1.399 2.100 1.00 0.00 O ATOM 567 CB LYS A 40 -7.511 -0.561 4.598 1.00 0.00 C ATOM 568 CG LYS A 40 -6.150 -0.532 5.308 1.00 0.00 C ATOM 569 CD LYS A 40 -5.885 0.805 6.016 1.00 0.00 C ATOM 570 CE LYS A 40 -5.669 1.993 5.066 1.00 0.00 C ATOM 571 NZ LYS A 40 -4.559 1.770 4.122 1.00 0.00 N ATOM 0 H LYS A 40 -6.091 -0.943 2.737 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.485 -2.713 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.613 0.321 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.311 -0.517 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.107 -1.341 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.360 -0.717 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.726 1.028 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.005 0.698 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.586 2.177 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.468 2.890 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.289 2.674 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.743 1.375 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.861 1.104 3.383 1.00 0.00 H new ATOM 585 N PRO A 41 -10.016 -2.598 3.889 1.00 0.00 N ATOM 586 CA PRO A 41 -11.370 -2.854 3.418 1.00 0.00 C ATOM 587 C PRO A 41 -12.247 -1.606 3.573 1.00 0.00 C ATOM 588 O PRO A 41 -13.241 -1.616 4.296 1.00 0.00 O ATOM 589 CB PRO A 41 -11.862 -4.028 4.267 1.00 0.00 C ATOM 590 CG PRO A 41 -11.160 -3.792 5.602 1.00 0.00 C ATOM 591 CD PRO A 41 -9.794 -3.272 5.159 1.00 0.00 C ATOM 0 HA PRO A 41 -11.409 -3.095 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.947 -4.024 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.588 -4.988 3.829 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.691 -3.067 6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.077 -4.708 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.379 -2.586 5.898 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.082 -4.090 5.048 1.00 0.00 H new ATOM 599 N GLN A 42 -11.882 -0.530 2.868 1.00 0.00 N ATOM 600 CA GLN A 42 -12.644 0.705 2.824 1.00 0.00 C ATOM 601 C GLN A 42 -13.841 0.471 1.910 1.00 0.00 C ATOM 602 O GLN A 42 -14.986 0.579 2.342 1.00 0.00 O ATOM 603 CB GLN A 42 -11.737 1.831 2.317 1.00 0.00 C ATOM 604 CG GLN A 42 -12.466 3.176 2.246 1.00 0.00 C ATOM 605 CD GLN A 42 -11.532 4.274 1.745 1.00 0.00 C ATOM 606 OE1 GLN A 42 -11.107 5.132 2.516 1.00 0.00 O ATOM 607 NE2 GLN A 42 -11.208 4.250 0.450 1.00 0.00 N ATOM 0 H GLN A 42 -11.032 -0.501 2.305 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.007 1.000 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.873 1.923 2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.359 1.573 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.326 3.094 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.848 3.440 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.583 3.520 -0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.586 4.962 0.067 1.00 0.00 H new ATOM 616 N VAL A 43 -13.558 0.102 0.657 1.00 0.00 N ATOM 617 CA VAL A 43 -14.564 -0.367 -0.274 1.00 0.00 C ATOM 618 C VAL A 43 -14.785 -1.849 0.019 1.00 0.00 C ATOM 619 O VAL A 43 -14.162 -2.717 -0.591 1.00 0.00 O ATOM 620 CB VAL A 43 -14.135 -0.082 -1.724 1.00 0.00 C ATOM 621 CG1 VAL A 43 -15.201 -0.595 -2.702 1.00 0.00 C ATOM 622 CG2 VAL A 43 -13.970 1.429 -1.939 1.00 0.00 C ATOM 0 H VAL A 43 -12.616 0.124 0.267 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.510 0.160 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.188 -0.590 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -14.886 -0.388 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.327 -1.670 -2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.148 -0.092 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.666 1.619 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.918 1.930 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.209 1.812 -1.260 1.00 0.00 H new ATOM 632 N THR A 44 -15.675 -2.122 0.978 1.00 0.00 N ATOM 633 CA THR A 44 -16.125 -3.459 1.323 1.00 0.00 C ATOM 634 C THR A 44 -17.340 -3.797 0.455 1.00 0.00 C ATOM 635 O THR A 44 -18.459 -3.923 0.948 1.00 0.00 O ATOM 636 CB THR A 44 -16.366 -3.567 2.841 1.00 0.00 C ATOM 637 OG1 THR A 44 -16.944 -4.818 3.149 1.00 0.00 O ATOM 638 CG2 THR A 44 -17.233 -2.446 3.433 1.00 0.00 C ATOM 0 H THR A 44 -16.109 -1.395 1.546 1.00 0.00 H new ATOM 0 HA THR A 44 -15.363 -4.208 1.108 1.00 0.00 H new ATOM 0 HB THR A 44 -15.383 -3.464 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.093 -4.880 4.116 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.349 -2.604 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.753 -1.483 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.213 -2.454 2.957 1.00 0.00 H new ATOM 646 N ARG A 45 -17.101 -3.927 -0.856 1.00 0.00 N ATOM 647 CA ARG A 45 -18.136 -4.078 -1.870 1.00 0.00 C ATOM 648 C ARG A 45 -19.045 -5.286 -1.614 1.00 0.00 C ATOM 649 O ARG A 45 -20.252 -5.198 -1.825 1.00 0.00 O ATOM 650 CB ARG A 45 -17.497 -4.106 -3.267 1.00 0.00 C ATOM 651 CG ARG A 45 -16.621 -5.341 -3.512 1.00 0.00 C ATOM 652 CD ARG A 45 -15.743 -5.156 -4.754 1.00 0.00 C ATOM 653 NE ARG A 45 -15.032 -6.400 -5.076 1.00 0.00 N ATOM 654 CZ ARG A 45 -13.941 -6.504 -5.854 1.00 0.00 C ATOM 655 NH1 ARG A 45 -13.373 -5.424 -6.408 1.00 0.00 N ATOM 656 NH2 ARG A 45 -13.408 -7.710 -6.086 1.00 0.00 N ATOM 0 H ARG A 45 -16.158 -3.929 -1.244 1.00 0.00 H new ATOM 0 HA ARG A 45 -18.794 -3.211 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -18.285 -4.074 -4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -16.892 -3.209 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.991 -5.523 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.253 -6.220 -3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.360 -4.854 -5.600 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.025 -4.355 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.399 -7.262 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.768 -4.498 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.545 -5.528 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.830 -8.542 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.580 -7.797 -6.675 1.00 0.00 H new ATOM 670 N GLY A 46 -18.474 -6.402 -1.149 1.00 0.00 N ATOM 671 CA GLY A 46 -19.223 -7.598 -0.804 1.00 0.00 C ATOM 672 C GLY A 46 -18.239 -8.723 -0.512 1.00 0.00 C ATOM 673 O GLY A 46 -18.013 -9.075 0.644 1.00 0.00 O ATOM 0 H GLY A 46 -17.469 -6.494 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.853 -7.412 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -19.885 -7.878 -1.623 1.00 0.00 H new ATOM 677 N ASP A 47 -17.617 -9.240 -1.576 1.00 0.00 N ATOM 678 CA ASP A 47 -16.453 -10.110 -1.496 1.00 0.00 C ATOM 679 C ASP A 47 -15.253 -9.354 -0.922 1.00 0.00 C ATOM 680 O ASP A 47 -14.341 -9.976 -0.382 1.00 0.00 O ATOM 681 CB ASP A 47 -16.118 -10.650 -2.893 1.00 0.00 C ATOM 682 CG ASP A 47 -15.698 -9.546 -3.864 1.00 0.00 C ATOM 683 OD1 ASP A 47 -16.524 -8.636 -4.089 1.00 0.00 O ATOM 684 OD2 ASP A 47 -14.556 -9.615 -4.366 1.00 0.00 O ATOM 0 H ASP A 47 -17.919 -9.058 -2.533 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.681 -10.943 -0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.315 -11.383 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.987 -11.172 -3.295 1.00 0.00 H new ATOM 689 N VAL A 48 -15.254 -8.021 -1.072 1.00 0.00 N ATOM 690 CA VAL A 48 -14.150 -7.117 -0.792 1.00 0.00 C ATOM 691 C VAL A 48 -13.137 -7.279 -1.920 1.00 0.00 C ATOM 692 O VAL A 48 -13.032 -6.404 -2.773 1.00 0.00 O ATOM 693 CB VAL A 48 -13.554 -7.278 0.622 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.635 -6.086 0.922 1.00 0.00 C ATOM 695 CG2 VAL A 48 -14.645 -7.330 1.698 1.00 0.00 C ATOM 0 H VAL A 48 -16.078 -7.525 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.510 -6.088 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.001 -8.217 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.211 -6.195 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.830 -6.053 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.210 -5.161 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.183 -7.444 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.224 -6.407 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.305 -8.177 1.507 1.00 0.00 H new ATOM 705 N PHE A 49 -12.450 -8.426 -1.957 1.00 0.00 N ATOM 706 CA PHE A 49 -11.648 -8.858 -3.086 1.00 0.00 C ATOM 707 C PHE A 49 -11.848 -10.355 -3.296 1.00 0.00 C ATOM 708 O PHE A 49 -12.164 -11.081 -2.355 1.00 0.00 O ATOM 709 CB PHE A 49 -10.171 -8.540 -2.840 1.00 0.00 C ATOM 710 CG PHE A 49 -9.262 -8.970 -3.972 1.00 0.00 C ATOM 711 CD1 PHE A 49 -9.453 -8.430 -5.256 1.00 0.00 C ATOM 712 CD2 PHE A 49 -8.385 -10.055 -3.797 1.00 0.00 C ATOM 713 CE1 PHE A 49 -8.796 -8.991 -6.362 1.00 0.00 C ATOM 714 CE2 PHE A 49 -7.723 -10.612 -4.902 1.00 0.00 C ATOM 715 CZ PHE A 49 -7.931 -10.083 -6.186 1.00 0.00 C ATOM 0 H PHE A 49 -12.442 -9.088 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.963 -8.325 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.060 -7.467 -2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.850 -9.031 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.107 -7.581 -5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.220 -10.461 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.956 -8.583 -7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.053 -11.448 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.426 -10.516 -7.037 1.00 0.00 H new ATOM 725 N THR A 50 -11.639 -10.811 -4.536 1.00 0.00 N ATOM 726 CA THR A 50 -11.682 -12.212 -4.910 1.00 0.00 C ATOM 727 C THR A 50 -10.380 -12.886 -4.469 1.00 0.00 C ATOM 728 O THR A 50 -9.536 -13.220 -5.299 1.00 0.00 O ATOM 729 CB THR A 50 -11.899 -12.309 -6.427 1.00 0.00 C ATOM 730 OG1 THR A 50 -10.920 -11.544 -7.101 1.00 0.00 O ATOM 731 CG2 THR A 50 -13.286 -11.795 -6.823 1.00 0.00 C ATOM 0 H THR A 50 -11.431 -10.193 -5.320 1.00 0.00 H new ATOM 0 HA THR A 50 -12.506 -12.728 -4.417 1.00 0.00 H new ATOM 0 HB THR A 50 -11.819 -13.359 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.029 -11.800 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 50 -13.410 -11.877 -7.903 1.00 0.00 H new ATOM 0 HG22 THR A 50 -14.051 -12.390 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.386 -10.752 -6.524 1.00 0.00 H new ATOM 739 N MET A 51 -10.222 -13.076 -3.154 1.00 0.00 N ATOM 740 CA MET A 51 -9.049 -13.699 -2.559 1.00 0.00 C ATOM 741 C MET A 51 -8.903 -15.132 -3.067 1.00 0.00 C ATOM 742 O MET A 51 -7.830 -15.501 -3.538 1.00 0.00 O ATOM 743 CB MET A 51 -9.164 -13.684 -1.030 1.00 0.00 C ATOM 744 CG MET A 51 -9.143 -12.263 -0.457 1.00 0.00 C ATOM 745 SD MET A 51 -9.237 -12.210 1.352 1.00 0.00 S ATOM 746 CE MET A 51 -9.405 -10.425 1.587 1.00 0.00 C ATOM 0 H MET A 51 -10.922 -12.794 -2.467 1.00 0.00 H new ATOM 0 HA MET A 51 -8.163 -13.134 -2.848 1.00 0.00 H new ATOM 0 HB2 MET A 51 -10.089 -14.179 -0.733 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.343 -14.258 -0.601 1.00 0.00 H new ATOM 0 HG2 MET A 51 -8.230 -11.763 -0.780 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.979 -11.700 -0.873 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.477 -10.203 2.652 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.534 -9.919 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.305 -10.075 1.082 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -10.011 -15.921 -2.960 1.00 0.00 O