USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=17 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 40 LYS NZ :NH3+ -151:sc= 0.948 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= 1.53 K(o=2.5,f=-1.9) USER MOD Set 2.1: A 14 ASN : amide:sc= 0.163 K(o=1.2,f=-3.2) USER MOD Set 2.2: A 17 LYS NZ :NH3+ 179:sc= 1.08 (180deg=0.549) USER MOD Set 2.3: A 20 GLN : amide:sc= -0.0588 X(o=1.2,f=1.3) USER MOD Single : A 1 ASP N :NH3+ 169:sc= 2.66 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0.65 K(o=0.65,f=-5.1!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 1.66 (180deg=1.61) USER MOD Single : A 10 THR OG1 : rot -38:sc= 0.467 USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0.959 (180deg=0.887) USER MOD Single : A 26 SER OG : rot 175:sc= 0.941 USER MOD Single : A 27 TYR OH : rot -158:sc= 0.689 USER MOD Single : A 28 TYR OH : rot 150:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0.541 F(o=-0.031,f=0.54) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 168:sc= 1.47 USER MOD Single : A 36 THR OG1 : rot -14:sc= 0.0812 USER MOD Single : A 44 THR OG1 : rot -54:sc= 0.0718 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.951 -8.222 -3.510 1.00 0.00 N ATOM 2 CA ASP A 1 10.459 -9.291 -2.639 1.00 0.00 C ATOM 3 C ASP A 1 9.433 -10.412 -2.500 1.00 0.00 C ATOM 4 O ASP A 1 9.698 -11.551 -2.877 1.00 0.00 O ATOM 5 CB ASP A 1 10.853 -8.741 -1.263 1.00 0.00 C ATOM 6 CG ASP A 1 11.977 -7.715 -1.353 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.847 -6.798 -2.194 1.00 0.00 O ATOM 8 OD2 ASP A 1 12.941 -7.853 -0.571 1.00 0.00 O ATOM 0 H1 ASP A 1 10.576 -7.394 -3.444 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.925 -8.558 -4.494 1.00 0.00 H new ATOM 0 H3 ASP A 1 8.991 -7.956 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 1 11.354 -9.704 -3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.982 -8.283 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 1 11.165 -9.564 -0.620 1.00 0.00 H new ATOM 15 N GLN A 2 8.263 -10.075 -1.951 1.00 0.00 N ATOM 16 CA GLN A 2 7.218 -11.022 -1.603 1.00 0.00 C ATOM 17 C GLN A 2 6.451 -11.480 -2.849 1.00 0.00 C ATOM 18 O GLN A 2 6.040 -12.638 -2.913 1.00 0.00 O ATOM 19 CB GLN A 2 6.263 -10.381 -0.587 1.00 0.00 C ATOM 20 CG GLN A 2 6.951 -9.883 0.691 1.00 0.00 C ATOM 21 CD GLN A 2 6.036 -8.933 1.459 1.00 0.00 C ATOM 22 OE1 GLN A 2 6.360 -7.760 1.634 1.00 0.00 O ATOM 23 NE2 GLN A 2 4.886 -9.434 1.916 1.00 0.00 N ATOM 0 H GLN A 2 8.017 -9.109 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 2 7.679 -11.903 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.753 -9.543 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.497 -11.108 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.215 -10.731 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.880 -9.374 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.654 -10.413 1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.239 -8.837 2.432 1.00 0.00 H new ATOM 32 N GLU A 3 6.239 -10.583 -3.824 1.00 0.00 N ATOM 33 CA GLU A 3 5.503 -10.880 -5.049 1.00 0.00 C ATOM 34 C GLU A 3 6.246 -10.253 -6.227 1.00 0.00 C ATOM 35 O GLU A 3 5.854 -9.200 -6.724 1.00 0.00 O ATOM 36 CB GLU A 3 4.064 -10.361 -4.913 1.00 0.00 C ATOM 37 CG GLU A 3 3.108 -10.864 -5.994 1.00 0.00 C ATOM 38 CD GLU A 3 1.697 -10.364 -5.700 1.00 0.00 C ATOM 39 OE1 GLU A 3 1.442 -9.175 -5.992 1.00 0.00 O ATOM 40 OE2 GLU A 3 0.903 -11.167 -5.166 1.00 0.00 O ATOM 0 H GLU A 3 6.580 -9.623 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 3 5.442 -11.954 -5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.676 -10.653 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.080 -9.271 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.433 -10.513 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.120 -11.953 -6.026 1.00 0.00 H new ATOM 47 N SER A 4 7.342 -10.896 -6.648 1.00 0.00 N ATOM 48 CA SER A 4 8.281 -10.368 -7.634 1.00 0.00 C ATOM 49 C SER A 4 8.921 -9.077 -7.111 1.00 0.00 C ATOM 50 O SER A 4 8.721 -8.717 -5.952 1.00 0.00 O ATOM 51 CB SER A 4 7.605 -10.181 -9.001 1.00 0.00 C ATOM 52 OG SER A 4 6.905 -11.353 -9.363 1.00 0.00 O ATOM 0 H SER A 4 7.603 -11.819 -6.302 1.00 0.00 H new ATOM 0 HA SER A 4 9.081 -11.092 -7.786 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.918 -9.336 -8.963 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.355 -9.948 -9.757 1.00 0.00 H new ATOM 0 HG SER A 4 6.477 -11.222 -10.235 1.00 0.00 H new ATOM 58 N CYS A 5 9.700 -8.380 -7.944 1.00 0.00 N ATOM 59 CA CYS A 5 10.364 -7.144 -7.547 1.00 0.00 C ATOM 60 C CYS A 5 9.390 -5.967 -7.604 1.00 0.00 C ATOM 61 O CYS A 5 9.486 -5.101 -8.474 1.00 0.00 O ATOM 62 CB CYS A 5 11.616 -6.922 -8.398 1.00 0.00 C ATOM 63 SG CYS A 5 13.029 -7.938 -7.895 1.00 0.00 S ATOM 0 H CYS A 5 9.885 -8.659 -8.908 1.00 0.00 H new ATOM 0 HA CYS A 5 10.692 -7.225 -6.511 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.379 -7.136 -9.440 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.899 -5.871 -8.345 1.00 0.00 H new ATOM 68 N LYS A 6 8.476 -5.945 -6.630 1.00 0.00 N ATOM 69 CA LYS A 6 7.595 -4.831 -6.325 1.00 0.00 C ATOM 70 C LYS A 6 8.119 -4.096 -5.094 1.00 0.00 C ATOM 71 O LYS A 6 8.182 -2.870 -5.093 1.00 0.00 O ATOM 72 CB LYS A 6 6.184 -5.351 -6.033 1.00 0.00 C ATOM 73 CG LYS A 6 5.476 -5.921 -7.264 1.00 0.00 C ATOM 74 CD LYS A 6 4.097 -6.434 -6.847 1.00 0.00 C ATOM 75 CE LYS A 6 3.223 -6.735 -8.065 1.00 0.00 C ATOM 76 NZ LYS A 6 1.830 -6.981 -7.662 1.00 0.00 N ATOM 0 H LYS A 6 8.329 -6.741 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 6 7.564 -4.154 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.242 -6.124 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.584 -4.539 -5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.377 -5.153 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.064 -6.730 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.209 -7.336 -6.246 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.605 -5.691 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.262 -5.898 -8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.613 -7.606 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.277 -7.282 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.805 -7.727 -6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.422 -6.107 -7.273 1.00 0.00 H new ATOM 90 N GLY A 7 8.438 -4.854 -4.037 1.00 0.00 N ATOM 91 CA GLY A 7 8.683 -4.333 -2.703 1.00 0.00 C ATOM 92 C GLY A 7 9.970 -3.523 -2.592 1.00 0.00 C ATOM 93 O GLY A 7 10.024 -2.375 -3.023 1.00 0.00 O ATOM 0 H GLY A 7 8.533 -5.868 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.842 -3.706 -2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.725 -5.164 -1.999 1.00 0.00 H new ATOM 97 N ARG A 8 11.000 -4.103 -1.966 1.00 0.00 N ATOM 98 CA ARG A 8 12.265 -3.425 -1.747 1.00 0.00 C ATOM 99 C ARG A 8 13.060 -3.498 -3.046 1.00 0.00 C ATOM 100 O ARG A 8 13.525 -2.474 -3.544 1.00 0.00 O ATOM 101 CB ARG A 8 13.043 -4.041 -0.577 1.00 0.00 C ATOM 102 CG ARG A 8 12.399 -3.828 0.804 1.00 0.00 C ATOM 103 CD ARG A 8 11.304 -4.841 1.171 1.00 0.00 C ATOM 104 NE ARG A 8 9.963 -4.418 0.746 1.00 0.00 N ATOM 105 CZ ARG A 8 8.870 -5.198 0.810 1.00 0.00 C ATOM 106 NH1 ARG A 8 8.957 -6.464 1.245 1.00 0.00 N ATOM 107 NH2 ARG A 8 7.680 -4.712 0.434 1.00 0.00 N ATOM 0 H ARG A 8 10.972 -5.055 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 8 12.087 -2.385 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 8 13.149 -5.112 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 8 14.048 -3.619 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.180 -3.869 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.973 -2.826 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.538 -5.802 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.305 -4.994 2.250 1.00 0.00 H new ATOM 0 HE ARG A 8 9.854 -3.473 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.859 -6.844 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.121 -7.047 1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.604 -3.751 0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.850 -5.303 0.482 1.00 0.00 H new ATOM 121 N CYS A 9 13.165 -4.703 -3.621 1.00 0.00 N ATOM 122 CA CYS A 9 13.602 -4.865 -4.997 1.00 0.00 C ATOM 123 C CYS A 9 12.566 -4.193 -5.893 1.00 0.00 C ATOM 124 O CYS A 9 11.396 -4.568 -5.857 1.00 0.00 O ATOM 125 CB CYS A 9 13.740 -6.345 -5.361 1.00 0.00 C ATOM 126 SG CYS A 9 14.332 -6.591 -7.058 1.00 0.00 S ATOM 0 H CYS A 9 12.950 -5.579 -3.144 1.00 0.00 H new ATOM 0 HA CYS A 9 14.582 -4.408 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.430 -6.824 -4.666 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.775 -6.837 -5.242 1.00 0.00 H new ATOM 131 N THR A 10 13.000 -3.191 -6.662 1.00 0.00 N ATOM 132 CA THR A 10 12.138 -2.377 -7.507 1.00 0.00 C ATOM 133 C THR A 10 12.336 -2.697 -8.993 1.00 0.00 C ATOM 134 O THR A 10 11.818 -1.980 -9.848 1.00 0.00 O ATOM 135 CB THR A 10 12.394 -0.895 -7.187 1.00 0.00 C ATOM 136 OG1 THR A 10 11.417 -0.085 -7.807 1.00 0.00 O ATOM 137 CG2 THR A 10 13.788 -0.418 -7.610 1.00 0.00 C ATOM 0 H THR A 10 13.982 -2.921 -6.712 1.00 0.00 H new ATOM 0 HA THR A 10 11.094 -2.607 -7.294 1.00 0.00 H new ATOM 0 HB THR A 10 12.334 -0.802 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.206 -0.447 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 10 13.905 0.636 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 10 14.546 -1.003 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 10 13.906 -0.547 -8.686 1.00 0.00 H new ATOM 145 N GLU A 11 13.086 -3.764 -9.306 1.00 0.00 N ATOM 146 CA GLU A 11 13.444 -4.156 -10.661 1.00 0.00 C ATOM 147 C GLU A 11 12.290 -4.929 -11.307 1.00 0.00 C ATOM 148 O GLU A 11 12.439 -6.092 -11.680 1.00 0.00 O ATOM 149 CB GLU A 11 14.729 -4.993 -10.617 1.00 0.00 C ATOM 150 CG GLU A 11 15.888 -4.226 -9.972 1.00 0.00 C ATOM 151 CD GLU A 11 17.144 -5.087 -9.931 1.00 0.00 C ATOM 152 OE1 GLU A 11 17.273 -5.853 -8.952 1.00 0.00 O ATOM 153 OE2 GLU A 11 17.947 -4.969 -10.882 1.00 0.00 O ATOM 0 H GLU A 11 13.467 -4.391 -8.597 1.00 0.00 H new ATOM 0 HA GLU A 11 13.627 -3.271 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.546 -5.911 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.006 -5.286 -11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.085 -3.313 -10.534 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.614 -3.925 -8.961 1.00 0.00 H new ATOM 160 N GLY A 12 11.133 -4.275 -11.429 1.00 0.00 N ATOM 161 CA GLY A 12 9.924 -4.860 -11.977 1.00 0.00 C ATOM 162 C GLY A 12 8.788 -3.850 -11.874 1.00 0.00 C ATOM 163 O GLY A 12 8.109 -3.569 -12.860 1.00 0.00 O ATOM 0 H GLY A 12 11.016 -3.303 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.082 -5.143 -13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.668 -5.770 -11.435 1.00 0.00 H new ATOM 167 N PHE A 13 8.596 -3.305 -10.670 1.00 0.00 N ATOM 168 CA PHE A 13 7.577 -2.318 -10.356 1.00 0.00 C ATOM 169 C PHE A 13 8.114 -1.430 -9.234 1.00 0.00 C ATOM 170 O PHE A 13 8.996 -1.847 -8.488 1.00 0.00 O ATOM 171 CB PHE A 13 6.298 -3.056 -9.952 1.00 0.00 C ATOM 172 CG PHE A 13 5.190 -2.193 -9.383 1.00 0.00 C ATOM 173 CD1 PHE A 13 4.340 -1.477 -10.244 1.00 0.00 C ATOM 174 CD2 PHE A 13 4.996 -2.117 -7.992 1.00 0.00 C ATOM 175 CE1 PHE A 13 3.299 -0.696 -9.715 1.00 0.00 C ATOM 176 CE2 PHE A 13 3.970 -1.322 -7.463 1.00 0.00 C ATOM 177 CZ PHE A 13 3.120 -0.613 -8.324 1.00 0.00 C ATOM 0 H PHE A 13 9.169 -3.552 -9.863 1.00 0.00 H new ATOM 0 HA PHE A 13 7.340 -1.684 -11.210 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.912 -3.580 -10.826 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.557 -3.815 -9.214 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.487 -1.527 -11.313 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.641 -2.674 -7.328 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.636 -0.159 -10.378 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.834 -1.256 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.327 -0.003 -7.917 1.00 0.00 H new ATOM 187 N ASN A 14 7.597 -0.200 -9.140 1.00 0.00 N ATOM 188 CA ASN A 14 8.057 0.804 -8.189 1.00 0.00 C ATOM 189 C ASN A 14 7.895 0.335 -6.742 1.00 0.00 C ATOM 190 O ASN A 14 7.059 -0.518 -6.452 1.00 0.00 O ATOM 191 CB ASN A 14 7.330 2.133 -8.427 1.00 0.00 C ATOM 192 CG ASN A 14 5.815 2.006 -8.295 1.00 0.00 C ATOM 193 OD1 ASN A 14 5.275 2.042 -7.191 1.00 0.00 O ATOM 194 ND2 ASN A 14 5.123 1.889 -9.427 1.00 0.00 N ATOM 0 H ASN A 14 6.835 0.126 -9.735 1.00 0.00 H new ATOM 0 HA ASN A 14 9.124 0.957 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.692 2.874 -7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.574 2.503 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.105 1.825 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.611 1.863 -10.322 1.00 0.00 H new ATOM 201 N VAL A 15 8.698 0.914 -5.840 1.00 0.00 N ATOM 202 CA VAL A 15 8.738 0.547 -4.430 1.00 0.00 C ATOM 203 C VAL A 15 7.345 0.684 -3.813 1.00 0.00 C ATOM 204 O VAL A 15 6.619 1.621 -4.143 1.00 0.00 O ATOM 205 CB VAL A 15 9.775 1.417 -3.693 1.00 0.00 C ATOM 206 CG1 VAL A 15 9.781 1.151 -2.181 1.00 0.00 C ATOM 207 CG2 VAL A 15 11.187 1.146 -4.227 1.00 0.00 C ATOM 0 H VAL A 15 9.347 1.663 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 15 9.043 -0.495 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 15 9.490 2.454 -3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.527 1.786 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.797 1.373 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.024 0.104 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 11.904 1.770 -3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.438 0.096 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.224 1.379 -5.291 1.00 0.00 H new ATOM 217 N ASP A 16 6.978 -0.258 -2.937 1.00 0.00 N ATOM 218 CA ASP A 16 5.664 -0.315 -2.314 1.00 0.00 C ATOM 219 C ASP A 16 5.381 0.931 -1.472 1.00 0.00 C ATOM 220 O ASP A 16 6.299 1.608 -1.010 1.00 0.00 O ATOM 221 CB ASP A 16 5.524 -1.594 -1.481 1.00 0.00 C ATOM 222 CG ASP A 16 6.468 -1.617 -0.282 1.00 0.00 C ATOM 223 OD1 ASP A 16 7.631 -2.035 -0.476 1.00 0.00 O ATOM 224 OD2 ASP A 16 6.003 -1.246 0.816 1.00 0.00 O ATOM 0 H ASP A 16 7.600 -1.011 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 16 4.917 -0.338 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.496 -1.685 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.724 -2.459 -2.113 1.00 0.00 H new ATOM 229 N LYS A 17 4.090 1.244 -1.323 1.00 0.00 N ATOM 230 CA LYS A 17 3.585 2.465 -0.710 1.00 0.00 C ATOM 231 C LYS A 17 2.424 2.107 0.216 1.00 0.00 C ATOM 232 O LYS A 17 2.469 2.398 1.410 1.00 0.00 O ATOM 233 CB LYS A 17 3.136 3.445 -1.804 1.00 0.00 C ATOM 234 CG LYS A 17 4.305 3.812 -2.726 1.00 0.00 C ATOM 235 CD LYS A 17 3.871 4.778 -3.830 1.00 0.00 C ATOM 236 CE LYS A 17 5.072 5.232 -4.670 1.00 0.00 C ATOM 237 NZ LYS A 17 5.779 4.103 -5.304 1.00 0.00 N ATOM 0 H LYS A 17 3.343 0.626 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 17 4.368 2.947 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.332 2.999 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.733 4.348 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.104 4.265 -2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.714 2.906 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.136 4.294 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.384 5.647 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.731 5.922 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.768 5.782 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.571 4.465 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.144 3.465 -4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.121 3.582 -5.918 1.00 0.00 H new ATOM 251 N LYS A 18 1.395 1.464 -0.346 1.00 0.00 N ATOM 252 CA LYS A 18 0.299 0.857 0.389 1.00 0.00 C ATOM 253 C LYS A 18 -0.380 -0.171 -0.514 1.00 0.00 C ATOM 254 O LYS A 18 -0.451 -1.345 -0.163 1.00 0.00 O ATOM 255 CB LYS A 18 -0.674 1.905 0.968 1.00 0.00 C ATOM 256 CG LYS A 18 -1.285 2.884 -0.049 1.00 0.00 C ATOM 257 CD LYS A 18 -2.268 3.867 0.595 1.00 0.00 C ATOM 258 CE LYS A 18 -1.600 4.885 1.522 1.00 0.00 C ATOM 259 NZ LYS A 18 -2.572 5.898 1.970 1.00 0.00 N ATOM 0 H LYS A 18 1.307 1.353 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 18 0.689 0.341 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.486 1.380 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.147 2.482 1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.485 3.442 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.799 2.320 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.802 4.400 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.011 3.306 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.176 4.374 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.774 5.371 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.137 6.497 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.856 6.488 1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.410 5.425 2.364 1.00 0.00 H new ATOM 273 N CYS A 19 -0.859 0.276 -1.680 1.00 0.00 N ATOM 274 CA CYS A 19 -1.596 -0.517 -2.646 1.00 0.00 C ATOM 275 C CYS A 19 -1.837 0.339 -3.888 1.00 0.00 C ATOM 276 O CYS A 19 -2.883 0.970 -4.033 1.00 0.00 O ATOM 277 CB CYS A 19 -2.907 -1.041 -2.047 1.00 0.00 C ATOM 278 SG CYS A 19 -4.033 -1.802 -3.247 1.00 0.00 S ATOM 0 H CYS A 19 -0.734 1.243 -1.981 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.016 -1.397 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.671 -1.773 -1.275 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.423 -0.215 -1.557 1.00 0.00 H new ATOM 283 N GLN A 20 -0.852 0.338 -4.789 1.00 0.00 N ATOM 284 CA GLN A 20 -0.987 0.778 -6.166 1.00 0.00 C ATOM 285 C GLN A 20 -1.043 -0.489 -7.019 1.00 0.00 C ATOM 286 O GLN A 20 -1.975 -0.682 -7.794 1.00 0.00 O ATOM 287 CB GLN A 20 0.191 1.693 -6.517 1.00 0.00 C ATOM 288 CG GLN A 20 0.161 2.132 -7.984 1.00 0.00 C ATOM 289 CD GLN A 20 1.210 3.202 -8.278 1.00 0.00 C ATOM 290 OE1 GLN A 20 0.886 4.256 -8.820 1.00 0.00 O ATOM 291 NE2 GLN A 20 2.471 2.945 -7.924 1.00 0.00 N ATOM 0 H GLN A 20 0.091 0.019 -4.565 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.890 1.363 -6.342 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.170 2.574 -5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.127 1.173 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.334 1.268 -8.625 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.829 2.517 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.704 2.059 -7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.201 3.635 -8.102 1.00 0.00 H new ATOM 300 N CYS A 21 -0.064 -1.377 -6.814 1.00 0.00 N ATOM 301 CA CYS A 21 -0.105 -2.769 -7.234 1.00 0.00 C ATOM 302 C CYS A 21 0.881 -3.516 -6.335 1.00 0.00 C ATOM 303 O CYS A 21 1.804 -4.166 -6.820 1.00 0.00 O ATOM 304 CB CYS A 21 0.244 -2.887 -8.727 1.00 0.00 C ATOM 305 SG CYS A 21 0.299 -4.561 -9.432 1.00 0.00 S ATOM 0 H CYS A 21 0.803 -1.132 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.100 -3.202 -7.130 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.484 -2.305 -9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.216 -2.421 -8.885 1.00 0.00 H new ATOM 310 N ASP A 22 0.728 -3.356 -5.016 1.00 0.00 N ATOM 311 CA ASP A 22 1.808 -3.578 -4.065 1.00 0.00 C ATOM 312 C ASP A 22 1.718 -4.981 -3.469 1.00 0.00 C ATOM 313 O ASP A 22 0.629 -5.460 -3.155 1.00 0.00 O ATOM 314 CB ASP A 22 1.782 -2.517 -2.956 1.00 0.00 C ATOM 315 CG ASP A 22 1.889 -1.070 -3.446 1.00 0.00 C ATOM 316 OD1 ASP A 22 1.799 -0.839 -4.671 1.00 0.00 O ATOM 317 OD2 ASP A 22 2.029 -0.193 -2.568 1.00 0.00 O ATOM 0 H ASP A 22 -0.150 -3.069 -4.584 1.00 0.00 H new ATOM 0 HA ASP A 22 2.755 -3.491 -4.597 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.857 -2.626 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.603 -2.713 -2.266 1.00 0.00 H new ATOM 322 N GLU A 23 2.878 -5.628 -3.321 1.00 0.00 N ATOM 323 CA GLU A 23 2.999 -7.026 -2.940 1.00 0.00 C ATOM 324 C GLU A 23 2.383 -7.322 -1.574 1.00 0.00 C ATOM 325 O GLU A 23 1.628 -8.281 -1.430 1.00 0.00 O ATOM 326 CB GLU A 23 4.467 -7.465 -3.005 1.00 0.00 C ATOM 327 CG GLU A 23 5.455 -6.655 -2.154 1.00 0.00 C ATOM 328 CD GLU A 23 6.865 -7.216 -2.288 1.00 0.00 C ATOM 329 OE1 GLU A 23 7.270 -7.521 -3.430 1.00 0.00 O ATOM 330 OE2 GLU A 23 7.529 -7.355 -1.240 1.00 0.00 O ATOM 0 H GLU A 23 3.780 -5.175 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 23 2.426 -7.612 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.526 -8.509 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.793 -7.419 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.442 -5.611 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.147 -6.678 -1.109 1.00 0.00 H new ATOM 337 N LEU A 24 2.708 -6.503 -0.571 1.00 0.00 N ATOM 338 CA LEU A 24 2.276 -6.728 0.798 1.00 0.00 C ATOM 339 C LEU A 24 0.752 -6.740 0.913 1.00 0.00 C ATOM 340 O LEU A 24 0.206 -7.500 1.709 1.00 0.00 O ATOM 341 CB LEU A 24 2.945 -5.733 1.762 1.00 0.00 C ATOM 342 CG LEU A 24 2.429 -4.281 1.730 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.129 -3.492 2.841 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.696 -3.572 0.398 1.00 0.00 C ATOM 0 H LEU A 24 3.279 -5.666 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 24 2.608 -7.722 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.828 -6.113 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.014 -5.719 1.548 1.00 0.00 H new ATOM 0 HG LEU A 24 1.348 -4.321 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.776 -2.461 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.904 -3.945 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.206 -3.508 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.308 -2.555 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.769 -3.543 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.201 -4.114 -0.408 1.00 0.00 H new ATOM 356 N CYS A 25 0.073 -5.915 0.107 1.00 0.00 N ATOM 357 CA CYS A 25 -1.370 -5.765 0.162 1.00 0.00 C ATOM 358 C CYS A 25 -2.087 -6.741 -0.777 1.00 0.00 C ATOM 359 O CYS A 25 -3.272 -7.017 -0.585 1.00 0.00 O ATOM 360 CB CYS A 25 -1.751 -4.313 -0.097 1.00 0.00 C ATOM 361 SG CYS A 25 -3.422 -3.945 0.491 1.00 0.00 S ATOM 0 H CYS A 25 0.520 -5.334 -0.602 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.707 -6.025 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.037 -3.655 0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.687 -4.105 -1.165 1.00 0.00 H new ATOM 366 N SER A 26 -1.374 -7.308 -1.764 1.00 0.00 N ATOM 367 CA SER A 26 -1.853 -8.491 -2.464 1.00 0.00 C ATOM 368 C SER A 26 -2.123 -9.582 -1.430 1.00 0.00 C ATOM 369 O SER A 26 -3.210 -10.157 -1.403 1.00 0.00 O ATOM 370 CB SER A 26 -0.848 -8.964 -3.519 1.00 0.00 C ATOM 371 OG SER A 26 -0.552 -7.929 -4.430 1.00 0.00 O ATOM 0 H SER A 26 -0.470 -6.962 -2.087 1.00 0.00 H new ATOM 0 HA SER A 26 -2.773 -8.252 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.068 -9.298 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.254 -9.821 -4.056 1.00 0.00 H new ATOM 0 HG SER A 26 0.146 -8.228 -5.050 1.00 0.00 H new ATOM 377 N TYR A 27 -1.150 -9.805 -0.535 1.00 0.00 N ATOM 378 CA TYR A 27 -1.268 -10.734 0.579 1.00 0.00 C ATOM 379 C TYR A 27 -1.949 -10.061 1.773 1.00 0.00 C ATOM 380 O TYR A 27 -1.446 -10.111 2.894 1.00 0.00 O ATOM 381 CB TYR A 27 0.123 -11.251 0.958 1.00 0.00 C ATOM 382 CG TYR A 27 0.931 -11.801 -0.199 1.00 0.00 C ATOM 383 CD1 TYR A 27 0.442 -12.875 -0.964 1.00 0.00 C ATOM 384 CD2 TYR A 27 2.181 -11.237 -0.506 1.00 0.00 C ATOM 385 CE1 TYR A 27 1.207 -13.392 -2.024 1.00 0.00 C ATOM 386 CE2 TYR A 27 2.941 -11.756 -1.564 1.00 0.00 C ATOM 387 CZ TYR A 27 2.468 -12.846 -2.310 1.00 0.00 C ATOM 388 OH TYR A 27 3.238 -13.380 -3.303 1.00 0.00 O ATOM 0 H TYR A 27 -0.247 -9.333 -0.573 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.889 -11.579 0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.684 -10.439 1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.013 -12.032 1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.523 -13.303 -0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.556 -10.405 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.825 -14.209 -2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.896 -11.314 -1.806 1.00 0.00 H new ATOM 0 HH TYR A 27 4.176 -13.138 -3.155 1.00 0.00 H new ATOM 398 N TYR A 28 -3.111 -9.449 1.531 1.00 0.00 N ATOM 399 CA TYR A 28 -3.953 -8.873 2.567 1.00 0.00 C ATOM 400 C TYR A 28 -5.407 -8.927 2.114 1.00 0.00 C ATOM 401 O TYR A 28 -6.233 -9.537 2.789 1.00 0.00 O ATOM 402 CB TYR A 28 -3.503 -7.446 2.897 1.00 0.00 C ATOM 403 CG TYR A 28 -4.295 -6.781 4.005 1.00 0.00 C ATOM 404 CD1 TYR A 28 -4.308 -7.335 5.298 1.00 0.00 C ATOM 405 CD2 TYR A 28 -5.013 -5.600 3.748 1.00 0.00 C ATOM 406 CE1 TYR A 28 -5.061 -6.729 6.318 1.00 0.00 C ATOM 407 CE2 TYR A 28 -5.764 -4.996 4.765 1.00 0.00 C ATOM 408 CZ TYR A 28 -5.793 -5.560 6.050 1.00 0.00 C ATOM 409 OH TYR A 28 -6.528 -4.968 7.037 1.00 0.00 O ATOM 0 H TYR A 28 -3.494 -9.341 0.592 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.859 -9.451 3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.451 -7.466 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.579 -6.837 1.996 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.738 -8.228 5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.986 -5.157 2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.077 -7.162 7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.322 -4.094 4.560 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.569 -4.002 6.879 1.00 0.00 H new ATOM 419 N GLN A 29 -5.714 -8.317 0.962 1.00 0.00 N ATOM 420 CA GLN A 29 -7.029 -8.433 0.343 1.00 0.00 C ATOM 421 C GLN A 29 -6.949 -8.205 -1.168 1.00 0.00 C ATOM 422 O GLN A 29 -7.797 -7.524 -1.740 1.00 0.00 O ATOM 423 CB GLN A 29 -8.056 -7.530 1.050 1.00 0.00 C ATOM 424 CG GLN A 29 -7.689 -6.042 1.034 1.00 0.00 C ATOM 425 CD GLN A 29 -8.737 -5.209 1.768 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.931 -5.088 1.184 1.00 0.00 O flip ATOM 427 NE2 GLN A 29 -8.479 -4.684 2.849 1.00 0.00 N flip ATOM 0 H GLN A 29 -5.059 -7.734 0.440 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.389 -9.454 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.028 -7.660 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.162 -7.857 2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.715 -5.900 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.602 -5.697 0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.554 -4.799 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.189 -4.133 3.331 1.00 0.00 H new ATOM 436 N SER A 30 -5.950 -8.821 -1.815 1.00 0.00 N ATOM 437 CA SER A 30 -5.856 -8.917 -3.266 1.00 0.00 C ATOM 438 C SER A 30 -5.835 -7.537 -3.928 1.00 0.00 C ATOM 439 O SER A 30 -6.629 -7.268 -4.828 1.00 0.00 O ATOM 440 CB SER A 30 -6.988 -9.807 -3.798 1.00 0.00 C ATOM 441 OG SER A 30 -6.979 -11.046 -3.123 1.00 0.00 O ATOM 0 H SER A 30 -5.174 -9.272 -1.330 1.00 0.00 H new ATOM 0 HA SER A 30 -4.906 -9.384 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.949 -9.312 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.866 -9.965 -4.869 1.00 0.00 H new ATOM 0 HG SER A 30 -7.704 -11.610 -3.465 1.00 0.00 H new ATOM 447 N CYS A 31 -4.910 -6.680 -3.473 1.00 0.00 N ATOM 448 CA CYS A 31 -4.716 -5.319 -3.952 1.00 0.00 C ATOM 449 C CYS A 31 -4.748 -5.219 -5.475 1.00 0.00 C ATOM 450 O CYS A 31 -5.695 -4.679 -6.040 1.00 0.00 O ATOM 451 CB CYS A 31 -3.392 -4.769 -3.414 1.00 0.00 C ATOM 452 SG CYS A 31 -2.875 -3.206 -4.174 1.00 0.00 S ATOM 0 H CYS A 31 -4.255 -6.933 -2.733 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.548 -4.721 -3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.482 -4.625 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.611 -5.513 -3.572 1.00 0.00 H new ATOM 457 N CYS A 32 -3.693 -5.697 -6.139 1.00 0.00 N ATOM 458 CA CYS A 32 -3.498 -5.424 -7.553 1.00 0.00 C ATOM 459 C CYS A 32 -4.512 -6.171 -8.413 1.00 0.00 C ATOM 460 O CYS A 32 -4.983 -5.644 -9.418 1.00 0.00 O ATOM 461 CB CYS A 32 -2.074 -5.783 -7.962 1.00 0.00 C ATOM 462 SG CYS A 32 -1.659 -5.122 -9.596 1.00 0.00 S ATOM 0 H CYS A 32 -2.966 -6.273 -5.716 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.656 -4.358 -7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.374 -5.393 -7.223 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -1.960 -6.867 -7.968 1.00 0.00 H new ATOM 467 N THR A 33 -4.838 -7.402 -8.008 1.00 0.00 N ATOM 468 CA THR A 33 -5.773 -8.259 -8.713 1.00 0.00 C ATOM 469 C THR A 33 -7.162 -7.620 -8.756 1.00 0.00 C ATOM 470 O THR A 33 -7.818 -7.671 -9.795 1.00 0.00 O ATOM 471 CB THR A 33 -5.806 -9.635 -8.034 1.00 0.00 C ATOM 472 OG1 THR A 33 -4.501 -10.176 -7.989 1.00 0.00 O ATOM 473 CG2 THR A 33 -6.713 -10.619 -8.779 1.00 0.00 C ATOM 0 H THR A 33 -4.449 -7.830 -7.168 1.00 0.00 H new ATOM 0 HA THR A 33 -5.446 -8.387 -9.745 1.00 0.00 H new ATOM 0 HB THR A 33 -6.201 -9.491 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.526 -11.054 -7.553 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.707 -11.580 -8.265 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.730 -10.228 -8.806 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.348 -10.750 -9.798 1.00 0.00 H new ATOM 481 N ASP A 34 -7.608 -7.043 -7.633 1.00 0.00 N ATOM 482 CA ASP A 34 -8.966 -6.544 -7.475 1.00 0.00 C ATOM 483 C ASP A 34 -8.981 -5.189 -6.772 1.00 0.00 C ATOM 484 O ASP A 34 -9.399 -4.192 -7.359 1.00 0.00 O ATOM 485 CB ASP A 34 -9.786 -7.580 -6.699 1.00 0.00 C ATOM 486 CG ASP A 34 -11.215 -7.099 -6.465 1.00 0.00 C ATOM 487 OD1 ASP A 34 -12.022 -7.231 -7.410 1.00 0.00 O ATOM 488 OD2 ASP A 34 -11.471 -6.604 -5.345 1.00 0.00 O ATOM 0 H ASP A 34 -7.026 -6.912 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.411 -6.393 -8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.803 -8.520 -7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.307 -7.781 -5.741 1.00 0.00 H new ATOM 493 N TYR A 35 -8.575 -5.165 -5.498 1.00 0.00 N ATOM 494 CA TYR A 35 -8.848 -4.060 -4.595 1.00 0.00 C ATOM 495 C TYR A 35 -7.795 -2.955 -4.717 1.00 0.00 C ATOM 496 O TYR A 35 -7.077 -2.658 -3.764 1.00 0.00 O ATOM 497 CB TYR A 35 -8.962 -4.619 -3.172 1.00 0.00 C ATOM 498 CG TYR A 35 -9.396 -3.602 -2.137 1.00 0.00 C ATOM 499 CD1 TYR A 35 -10.666 -3.007 -2.225 1.00 0.00 C ATOM 500 CD2 TYR A 35 -8.516 -3.222 -1.112 1.00 0.00 C ATOM 501 CE1 TYR A 35 -11.039 -2.011 -1.309 1.00 0.00 C ATOM 502 CE2 TYR A 35 -8.927 -2.292 -0.148 1.00 0.00 C ATOM 503 CZ TYR A 35 -10.167 -1.648 -0.271 1.00 0.00 C ATOM 504 OH TYR A 35 -10.521 -0.673 0.613 1.00 0.00 O ATOM 0 H TYR A 35 -8.044 -5.922 -5.068 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.792 -3.585 -4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -9.674 -5.445 -3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.997 -5.031 -2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -11.355 -3.316 -2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.524 -3.646 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -11.998 -1.523 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.287 -2.070 0.693 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.896 -0.673 1.368 1.00 0.00 H new ATOM 514 N THR A 36 -7.719 -2.327 -5.893 1.00 0.00 N ATOM 515 CA THR A 36 -6.797 -1.237 -6.163 1.00 0.00 C ATOM 516 C THR A 36 -7.356 0.051 -5.550 1.00 0.00 C ATOM 517 O THR A 36 -8.052 0.815 -6.216 1.00 0.00 O ATOM 518 CB THR A 36 -6.569 -1.129 -7.676 1.00 0.00 C ATOM 519 OG1 THR A 36 -6.163 -2.389 -8.169 1.00 0.00 O ATOM 520 CG2 THR A 36 -5.484 -0.099 -8.004 1.00 0.00 C ATOM 0 H THR A 36 -8.307 -2.570 -6.691 1.00 0.00 H new ATOM 0 HA THR A 36 -5.825 -1.421 -5.705 1.00 0.00 H new ATOM 0 HB THR A 36 -7.501 -0.810 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.911 -2.968 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.347 -0.047 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.785 0.879 -7.629 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.547 -0.395 -7.533 1.00 0.00 H new ATOM 528 N ALA A 37 -7.056 0.271 -4.267 1.00 0.00 N ATOM 529 CA ALA A 37 -7.520 1.407 -3.482 1.00 0.00 C ATOM 530 C ALA A 37 -6.577 1.589 -2.289 1.00 0.00 C ATOM 531 O ALA A 37 -5.490 1.017 -2.281 1.00 0.00 O ATOM 532 CB ALA A 37 -8.960 1.138 -3.028 1.00 0.00 C ATOM 0 H ALA A 37 -6.462 -0.362 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.515 2.325 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.319 1.982 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.599 1.007 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.987 0.234 -2.420 1.00 0.00 H new ATOM 538 N GLU A 38 -6.998 2.343 -1.265 1.00 0.00 N ATOM 539 CA GLU A 38 -6.346 2.326 0.039 1.00 0.00 C ATOM 540 C GLU A 38 -6.288 0.879 0.522 1.00 0.00 C ATOM 541 O GLU A 38 -7.300 0.188 0.459 1.00 0.00 O ATOM 542 CB GLU A 38 -7.155 3.166 1.036 1.00 0.00 C ATOM 543 CG GLU A 38 -6.983 4.672 0.814 1.00 0.00 C ATOM 544 CD GLU A 38 -5.580 5.149 1.180 1.00 0.00 C ATOM 545 OE1 GLU A 38 -5.130 4.812 2.297 1.00 0.00 O ATOM 546 OE2 GLU A 38 -4.968 5.844 0.340 1.00 0.00 O ATOM 0 H GLU A 38 -7.796 2.976 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.342 2.743 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.211 2.908 0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.847 2.915 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.185 4.910 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.717 5.212 1.412 1.00 0.00 H new ATOM 553 N CYS A 39 -5.112 0.421 0.969 1.00 0.00 N ATOM 554 CA CYS A 39 -4.876 -0.980 1.298 1.00 0.00 C ATOM 555 C CYS A 39 -5.833 -1.490 2.374 1.00 0.00 C ATOM 556 O CYS A 39 -6.367 -2.590 2.252 1.00 0.00 O ATOM 557 CB CYS A 39 -3.430 -1.184 1.752 1.00 0.00 C ATOM 558 SG CYS A 39 -3.083 -2.899 2.220 1.00 0.00 S ATOM 0 H CYS A 39 -4.298 1.019 1.111 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.060 -1.557 0.392 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.755 -0.887 0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.224 -0.531 2.600 1.00 0.00 H new ATOM 563 N LYS A 40 -6.043 -0.684 3.420 1.00 0.00 N ATOM 564 CA LYS A 40 -6.999 -0.966 4.479 1.00 0.00 C ATOM 565 C LYS A 40 -8.403 -1.189 3.896 1.00 0.00 C ATOM 566 O LYS A 40 -8.724 -0.615 2.856 1.00 0.00 O ATOM 567 CB LYS A 40 -7.002 0.194 5.490 1.00 0.00 C ATOM 568 CG LYS A 40 -7.240 1.562 4.830 1.00 0.00 C ATOM 569 CD LYS A 40 -7.689 2.650 5.815 1.00 0.00 C ATOM 570 CE LYS A 40 -9.026 2.316 6.492 1.00 0.00 C ATOM 571 NZ LYS A 40 -9.692 3.521 7.014 1.00 0.00 N ATOM 0 H LYS A 40 -5.542 0.195 3.550 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.704 -1.881 4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.776 0.017 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.048 0.212 6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.321 1.884 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.996 1.454 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.922 2.783 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.780 3.599 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.682 1.820 5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.855 1.613 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.274 3.267 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.975 4.218 7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.299 3.930 6.275 1.00 0.00 H new ATOM 585 N PRO A 41 -9.267 -1.979 4.555 1.00 0.00 N ATOM 586 CA PRO A 41 -10.667 -2.077 4.184 1.00 0.00 C ATOM 587 C PRO A 41 -11.312 -0.699 4.349 1.00 0.00 C ATOM 588 O PRO A 41 -11.467 -0.208 5.466 1.00 0.00 O ATOM 589 CB PRO A 41 -11.266 -3.135 5.113 1.00 0.00 C ATOM 590 CG PRO A 41 -10.377 -3.066 6.354 1.00 0.00 C ATOM 591 CD PRO A 41 -9.005 -2.748 5.762 1.00 0.00 C ATOM 0 HA PRO A 41 -10.829 -2.372 3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.307 -2.916 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.245 -4.126 4.659 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.708 -2.293 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.373 -4.007 6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.397 -2.178 6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.456 -3.661 5.533 1.00 0.00 H new ATOM 599 N GLN A 42 -11.625 -0.062 3.217 1.00 0.00 N ATOM 600 CA GLN A 42 -12.036 1.328 3.137 1.00 0.00 C ATOM 601 C GLN A 42 -13.201 1.436 2.165 1.00 0.00 C ATOM 602 O GLN A 42 -14.323 1.722 2.576 1.00 0.00 O ATOM 603 CB GLN A 42 -10.833 2.181 2.705 1.00 0.00 C ATOM 604 CG GLN A 42 -11.172 3.656 2.468 1.00 0.00 C ATOM 605 CD GLN A 42 -11.854 4.290 3.675 1.00 0.00 C ATOM 606 OE1 GLN A 42 -11.266 4.376 4.751 1.00 0.00 O ATOM 607 NE2 GLN A 42 -13.102 4.726 3.500 1.00 0.00 N ATOM 0 H GLN A 42 -11.596 -0.521 2.307 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.372 1.699 4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.059 2.114 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.413 1.763 1.790 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.259 4.205 2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.823 3.742 1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.551 4.634 2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.607 5.151 4.277 1.00 0.00 H new ATOM 616 N VAL A 43 -12.926 1.210 0.878 1.00 0.00 N ATOM 617 CA VAL A 43 -13.891 1.405 -0.192 1.00 0.00 C ATOM 618 C VAL A 43 -14.894 0.254 -0.202 1.00 0.00 C ATOM 619 O VAL A 43 -16.084 0.480 -0.408 1.00 0.00 O ATOM 620 CB VAL A 43 -13.159 1.561 -1.537 1.00 0.00 C ATOM 621 CG1 VAL A 43 -14.151 1.779 -2.686 1.00 0.00 C ATOM 622 CG2 VAL A 43 -12.191 2.751 -1.492 1.00 0.00 C ATOM 0 H VAL A 43 -12.016 0.883 0.553 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.454 2.323 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.604 0.639 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.605 1.886 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -14.823 0.924 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -14.731 2.683 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.684 2.844 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.748 3.665 -1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.453 2.590 -0.706 1.00 0.00 H new ATOM 632 N THR A 44 -14.417 -0.972 0.046 1.00 0.00 N ATOM 633 CA THR A 44 -15.233 -2.181 0.069 1.00 0.00 C ATOM 634 C THR A 44 -15.977 -2.309 1.405 1.00 0.00 C ATOM 635 O THR A 44 -15.865 -3.314 2.104 1.00 0.00 O ATOM 636 CB THR A 44 -14.355 -3.394 -0.298 1.00 0.00 C ATOM 637 OG1 THR A 44 -15.150 -4.551 -0.457 1.00 0.00 O ATOM 638 CG2 THR A 44 -13.217 -3.695 0.690 1.00 0.00 C ATOM 0 H THR A 44 -13.431 -1.149 0.240 1.00 0.00 H new ATOM 0 HA THR A 44 -16.019 -2.130 -0.684 1.00 0.00 H new ATOM 0 HB THR A 44 -13.876 -3.115 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.691 -4.690 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.657 -4.564 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.551 -2.835 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.635 -3.900 1.675 1.00 0.00 H new ATOM 646 N ARG A 45 -16.754 -1.277 1.760 1.00 0.00 N ATOM 647 CA ARG A 45 -17.520 -1.210 2.993 1.00 0.00 C ATOM 648 C ARG A 45 -18.791 -0.406 2.745 1.00 0.00 C ATOM 649 O ARG A 45 -18.759 0.591 2.025 1.00 0.00 O ATOM 650 CB ARG A 45 -16.708 -0.506 4.086 1.00 0.00 C ATOM 651 CG ARG A 45 -15.405 -1.231 4.442 1.00 0.00 C ATOM 652 CD ARG A 45 -14.798 -0.619 5.705 1.00 0.00 C ATOM 653 NE ARG A 45 -14.523 0.810 5.522 1.00 0.00 N ATOM 654 CZ ARG A 45 -14.260 1.679 6.511 1.00 0.00 C ATOM 655 NH1 ARG A 45 -14.223 1.281 7.791 1.00 0.00 N ATOM 656 NH2 ARG A 45 -14.039 2.962 6.214 1.00 0.00 N ATOM 0 H ARG A 45 -16.864 -0.448 1.176 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.760 -2.223 3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -16.473 0.507 3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.321 -0.416 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.600 -2.292 4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.699 -1.156 3.615 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.481 -0.756 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.875 -1.140 5.957 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.532 1.172 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.396 0.304 8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.022 1.955 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.071 3.274 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.838 3.630 6.958 1.00 0.00 H new ATOM 670 N GLY A 46 -19.892 -0.805 3.394 1.00 0.00 N ATOM 671 CA GLY A 46 -21.103 -0.003 3.477 1.00 0.00 C ATOM 672 C GLY A 46 -20.921 1.034 4.580 1.00 0.00 C ATOM 673 O GLY A 46 -21.590 0.964 5.609 1.00 0.00 O ATOM 0 H GLY A 46 -19.960 -1.701 3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.298 0.488 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -21.963 -0.637 3.691 1.00 0.00 H new ATOM 677 N ASP A 47 -19.975 1.957 4.363 1.00 0.00 N ATOM 678 CA ASP A 47 -19.426 2.876 5.350 1.00 0.00 C ATOM 679 C ASP A 47 -18.711 2.106 6.463 1.00 0.00 C ATOM 680 O ASP A 47 -17.484 2.032 6.455 1.00 0.00 O ATOM 681 CB ASP A 47 -20.473 3.870 5.873 1.00 0.00 C ATOM 682 CG ASP A 47 -19.820 4.931 6.757 1.00 0.00 C ATOM 683 OD1 ASP A 47 -19.567 4.623 7.942 1.00 0.00 O ATOM 684 OD2 ASP A 47 -19.565 6.033 6.226 1.00 0.00 O ATOM 0 H ASP A 47 -19.554 2.084 3.443 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.676 3.493 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -20.977 4.349 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.236 3.337 6.440 1.00 0.00 H new ATOM 689 N VAL A 48 -19.485 1.552 7.407 1.00 0.00 N ATOM 690 CA VAL A 48 -19.042 0.866 8.617 1.00 0.00 C ATOM 691 C VAL A 48 -18.420 1.872 9.586 1.00 0.00 C ATOM 692 O VAL A 48 -18.966 2.113 10.660 1.00 0.00 O ATOM 693 CB VAL A 48 -18.133 -0.340 8.308 1.00 0.00 C ATOM 694 CG1 VAL A 48 -17.737 -1.064 9.600 1.00 0.00 C ATOM 695 CG2 VAL A 48 -18.853 -1.337 7.390 1.00 0.00 C ATOM 0 H VAL A 48 -20.502 1.576 7.336 1.00 0.00 H new ATOM 0 HA VAL A 48 -19.911 0.433 9.113 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.240 0.039 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -17.096 -1.912 9.360 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.200 -0.376 10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -18.634 -1.420 10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -18.195 -2.181 7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -19.759 -1.694 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -19.117 -0.845 6.454 1.00 0.00 H new ATOM 705 N PHE A 49 -17.294 2.473 9.192 1.00 0.00 N ATOM 706 CA PHE A 49 -16.744 3.650 9.831 1.00 0.00 C ATOM 707 C PHE A 49 -16.046 4.496 8.770 1.00 0.00 C ATOM 708 O PHE A 49 -14.856 4.314 8.517 1.00 0.00 O ATOM 709 CB PHE A 49 -15.797 3.257 10.970 1.00 0.00 C ATOM 710 CG PHE A 49 -15.129 4.447 11.632 1.00 0.00 C ATOM 711 CD1 PHE A 49 -15.906 5.372 12.351 1.00 0.00 C ATOM 712 CD2 PHE A 49 -13.758 4.694 11.434 1.00 0.00 C ATOM 713 CE1 PHE A 49 -15.316 6.538 12.867 1.00 0.00 C ATOM 714 CE2 PHE A 49 -13.169 5.860 11.950 1.00 0.00 C ATOM 715 CZ PHE A 49 -13.949 6.782 12.665 1.00 0.00 C ATOM 0 H PHE A 49 -16.736 2.142 8.405 1.00 0.00 H new ATOM 0 HA PHE A 49 -17.541 4.241 10.282 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -16.355 2.698 11.721 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -15.029 2.588 10.581 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -16.958 5.186 12.507 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -13.157 3.985 10.884 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -15.915 7.247 13.419 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -12.116 6.047 11.797 1.00 0.00 H new ATOM 0 HZ PHE A 49 -13.497 7.680 13.060 1.00 0.00 H new ATOM 725 N THR A 50 -16.800 5.425 8.172 1.00 0.00 N ATOM 726 CA THR A 50 -16.307 6.492 7.314 1.00 0.00 C ATOM 727 C THR A 50 -15.961 5.963 5.921 1.00 0.00 C ATOM 728 O THR A 50 -14.792 5.731 5.615 1.00 0.00 O ATOM 729 CB THR A 50 -15.150 7.255 7.990 1.00 0.00 C ATOM 730 OG1 THR A 50 -15.494 7.543 9.331 1.00 0.00 O ATOM 731 CG2 THR A 50 -14.854 8.574 7.272 1.00 0.00 C ATOM 0 H THR A 50 -17.814 5.449 8.282 1.00 0.00 H new ATOM 0 HA THR A 50 -17.103 7.222 7.167 1.00 0.00 H new ATOM 0 HB THR A 50 -14.263 6.623 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.758 8.026 9.761 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.033 9.086 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 50 -14.576 8.371 6.238 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.742 9.206 7.291 1.00 0.00 H new ATOM 739 N MET A 51 -16.989 5.815 5.075 1.00 0.00 N ATOM 740 CA MET A 51 -16.907 5.501 3.650 1.00 0.00 C ATOM 741 C MET A 51 -16.298 4.121 3.384 1.00 0.00 C ATOM 742 O MET A 51 -15.996 3.387 4.321 1.00 0.00 O ATOM 743 CB MET A 51 -16.188 6.619 2.873 1.00 0.00 C ATOM 744 CG MET A 51 -16.979 7.935 2.846 1.00 0.00 C ATOM 745 SD MET A 51 -17.014 8.892 4.385 1.00 0.00 S ATOM 746 CE MET A 51 -18.073 10.264 3.863 1.00 0.00 C ATOM 0 H MET A 51 -17.954 5.918 5.389 1.00 0.00 H new ATOM 0 HA MET A 51 -17.929 5.450 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 51 -15.212 6.797 3.324 1.00 0.00 H new ATOM 0 HB3 MET A 51 -16.011 6.287 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 51 -16.563 8.567 2.061 1.00 0.00 H new ATOM 0 HG3 MET A 51 -18.007 7.709 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 51 -18.204 10.958 4.693 1.00 0.00 H new ATOM 0 HE2 MET A 51 -17.608 10.784 3.025 1.00 0.00 H new ATOM 0 HE3 MET A 51 -19.045 9.877 3.556 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -16.141 3.774 2.076 1.00 0.00 O