USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 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 37 THR OG1 : rot 180:sc= -0.209 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ -151:sc= 1.48 (180deg=0.239) USER MOD Single : A 3 ASN : amide:sc= -4.59! C(o=-4.6!,f=-3.9!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.9) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 47:sc= -5.39! USER MOD Single : A 27 THR OG1 : rot -44:sc= 1.12 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 47 ASN : amide:sc= -0.179 K(o=-0.18,f=-3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.31 K(o=-0.31,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 9.881 1.962 -2.395 1.00 0.00 N ATOM 2 CA PHE A 1 9.886 1.522 -3.819 1.00 0.00 C ATOM 3 C PHE A 1 9.371 2.657 -4.708 1.00 0.00 C ATOM 4 O PHE A 1 9.941 2.958 -5.738 1.00 0.00 O ATOM 5 CB PHE A 1 8.978 0.299 -3.979 1.00 0.00 C ATOM 6 CG PHE A 1 7.631 0.580 -3.351 1.00 0.00 C ATOM 7 CD1 PHE A 1 6.611 1.163 -4.116 1.00 0.00 C ATOM 8 CD2 PHE A 1 7.402 0.263 -2.004 1.00 0.00 C ATOM 9 CE1 PHE A 1 5.364 1.428 -3.535 1.00 0.00 C ATOM 10 CE2 PHE A 1 6.154 0.530 -1.424 1.00 0.00 C ATOM 11 CZ PHE A 1 5.136 1.112 -2.191 1.00 0.00 C ATOM 0 H1 PHE A 1 10.631 1.463 -1.875 1.00 0.00 H new ATOM 0 H2 PHE A 1 10.050 2.987 -2.348 1.00 0.00 H new ATOM 0 H3 PHE A 1 8.959 1.743 -1.967 1.00 0.00 H new ATOM 0 HA PHE A 1 10.903 1.262 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 1 8.855 0.061 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 1 9.436 -0.570 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 1 6.787 1.408 -5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 1 8.187 -0.187 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 1 4.578 1.876 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 1 5.977 0.287 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 1 4.174 1.317 -1.744 1.00 0.00 H new ATOM 23 N VAL A 2 8.299 3.290 -4.319 1.00 0.00 N ATOM 24 CA VAL A 2 7.751 4.405 -5.142 1.00 0.00 C ATOM 25 C VAL A 2 7.693 5.671 -4.288 1.00 0.00 C ATOM 26 O VAL A 2 8.134 6.728 -4.695 1.00 0.00 O ATOM 27 CB VAL A 2 6.350 4.016 -5.645 1.00 0.00 C ATOM 28 CG1 VAL A 2 5.483 5.261 -5.859 1.00 0.00 C ATOM 29 CG2 VAL A 2 6.491 3.268 -6.971 1.00 0.00 C ATOM 0 H VAL A 2 7.778 3.083 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 2 8.390 4.595 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 2 5.870 3.383 -4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.497 4.961 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.381 5.799 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.954 5.909 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.503 2.987 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.979 3.912 -7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.091 2.370 -6.820 1.00 0.00 H new ATOM 39 N ASN A 3 7.160 5.560 -3.108 1.00 0.00 N ATOM 40 CA ASN A 3 7.073 6.739 -2.199 1.00 0.00 C ATOM 41 C ASN A 3 6.709 7.995 -2.994 1.00 0.00 C ATOM 42 O ASN A 3 7.349 9.021 -2.874 1.00 0.00 O ATOM 43 CB ASN A 3 8.425 6.948 -1.515 1.00 0.00 C ATOM 44 CG ASN A 3 9.528 7.006 -2.574 1.00 0.00 C ATOM 45 OD1 ASN A 3 9.773 8.045 -3.156 1.00 0.00 O ATOM 46 ND2 ASN A 3 10.205 5.926 -2.855 1.00 0.00 N ATOM 0 H ASN A 3 6.776 4.695 -2.727 1.00 0.00 H new ATOM 0 HA ASN A 3 6.301 6.556 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.413 7.871 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.620 6.135 -0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.939 5.954 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.000 5.054 -2.367 1.00 0.00 H new ATOM 53 N GLN A 4 5.687 7.929 -3.802 1.00 0.00 N ATOM 54 CA GLN A 4 5.289 9.127 -4.595 1.00 0.00 C ATOM 55 C GLN A 4 3.829 8.991 -5.030 1.00 0.00 C ATOM 56 O GLN A 4 3.533 8.800 -6.192 1.00 0.00 O ATOM 57 CB GLN A 4 6.182 9.244 -5.832 1.00 0.00 C ATOM 58 CG GLN A 4 6.926 10.581 -5.794 1.00 0.00 C ATOM 59 CD GLN A 4 7.595 10.835 -7.146 1.00 0.00 C ATOM 60 OE1 GLN A 4 8.371 10.026 -7.616 1.00 0.00 O ATOM 61 NE2 GLN A 4 7.326 11.934 -7.796 1.00 0.00 N ATOM 0 H GLN A 4 5.111 7.100 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 4 5.403 10.020 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 4 6.894 8.419 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.579 9.176 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.231 11.389 -5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.675 10.569 -5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 4 6.675 12.613 -7.402 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.767 12.114 -8.698 1.00 0.00 H new ATOM 70 N HIS A 5 2.916 9.087 -4.105 1.00 0.00 N ATOM 71 CA HIS A 5 1.477 8.959 -4.466 1.00 0.00 C ATOM 72 C HIS A 5 1.215 7.545 -4.992 1.00 0.00 C ATOM 73 O HIS A 5 1.806 7.116 -5.962 1.00 0.00 O ATOM 74 CB HIS A 5 1.130 9.981 -5.553 1.00 0.00 C ATOM 75 CG HIS A 5 1.904 11.251 -5.322 1.00 0.00 C ATOM 76 ND1 HIS A 5 2.918 11.639 -6.173 1.00 0.00 N ATOM 77 CD2 HIS A 5 1.801 12.207 -4.348 1.00 0.00 C ATOM 78 CE1 HIS A 5 3.394 12.800 -5.701 1.00 0.00 C ATOM 79 NE2 HIS A 5 2.742 13.187 -4.585 1.00 0.00 N ATOM 0 H HIS A 5 3.104 9.248 -3.115 1.00 0.00 H new ATOM 0 HA HIS A 5 0.860 9.144 -3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.365 9.574 -6.536 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.060 10.189 -5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.098 12.196 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.199 13.356 -6.157 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.910 14.028 -4.033 1.00 0.00 H new ATOM 87 N LEU A 6 0.335 6.815 -4.360 1.00 0.00 N ATOM 88 CA LEU A 6 0.041 5.430 -4.828 1.00 0.00 C ATOM 89 C LEU A 6 -1.351 5.394 -5.455 1.00 0.00 C ATOM 90 O LEU A 6 -1.509 5.320 -6.659 1.00 0.00 O ATOM 91 CB LEU A 6 0.082 4.468 -3.636 1.00 0.00 C ATOM 92 CG LEU A 6 1.527 4.054 -3.328 1.00 0.00 C ATOM 93 CD1 LEU A 6 1.967 2.960 -4.302 1.00 0.00 C ATOM 94 CD2 LEU A 6 2.457 5.264 -3.463 1.00 0.00 C ATOM 0 H LEU A 6 -0.192 7.118 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 6 0.785 5.130 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.360 4.945 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.517 3.584 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 6 1.579 3.674 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.994 2.668 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.313 2.095 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.909 3.337 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.481 4.962 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.404 5.652 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.149 6.040 -2.762 1.00 0.00 H new ATOM 106 N CYS A 7 -2.359 5.452 -4.637 1.00 0.00 N ATOM 107 CA CYS A 7 -3.761 5.435 -5.149 1.00 0.00 C ATOM 108 C CYS A 7 -4.035 4.144 -5.923 1.00 0.00 C ATOM 109 O CYS A 7 -3.507 3.936 -6.996 1.00 0.00 O ATOM 110 CB CYS A 7 -3.978 6.636 -6.072 1.00 0.00 C ATOM 111 SG CYS A 7 -5.661 7.263 -5.858 1.00 0.00 S ATOM 0 H CYS A 7 -2.275 5.511 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.445 5.488 -4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.255 7.419 -5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.816 6.345 -7.110 1.00 0.00 H new ATOM 116 N GLY A 8 -4.879 3.297 -5.374 1.00 0.00 N ATOM 117 CA GLY A 8 -5.255 1.998 -6.032 1.00 0.00 C ATOM 118 C GLY A 8 -4.267 1.609 -7.134 1.00 0.00 C ATOM 119 O GLY A 8 -3.298 0.928 -6.891 1.00 0.00 O ATOM 0 H GLY A 8 -5.334 3.456 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.291 1.208 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.256 2.082 -6.455 1.00 0.00 H new ATOM 123 N SER A 9 -4.528 2.031 -8.345 1.00 0.00 N ATOM 124 CA SER A 9 -3.634 1.695 -9.497 1.00 0.00 C ATOM 125 C SER A 9 -2.190 1.488 -9.033 1.00 0.00 C ATOM 126 O SER A 9 -1.595 0.461 -9.286 1.00 0.00 O ATOM 127 CB SER A 9 -3.681 2.833 -10.519 1.00 0.00 C ATOM 128 OG SER A 9 -5.028 3.049 -10.920 1.00 0.00 O ATOM 0 H SER A 9 -5.336 2.604 -8.589 1.00 0.00 H new ATOM 0 HA SER A 9 -3.985 0.767 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.268 3.744 -10.085 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.067 2.585 -11.385 1.00 0.00 H new ATOM 0 HG SER A 9 -5.062 3.779 -11.573 1.00 0.00 H new ATOM 134 N ASP A 10 -1.619 2.443 -8.351 1.00 0.00 N ATOM 135 CA ASP A 10 -0.215 2.271 -7.880 1.00 0.00 C ATOM 136 C ASP A 10 -0.218 1.644 -6.482 1.00 0.00 C ATOM 137 O ASP A 10 0.634 0.845 -6.147 1.00 0.00 O ATOM 138 CB ASP A 10 0.478 3.632 -7.829 1.00 0.00 C ATOM 139 CG ASP A 10 1.690 3.624 -8.762 1.00 0.00 C ATOM 140 OD1 ASP A 10 1.584 3.057 -9.836 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.705 4.187 -8.384 1.00 0.00 O ATOM 0 H ASP A 10 -2.059 3.328 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 10 0.321 1.618 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.217 4.417 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.792 3.854 -6.809 1.00 0.00 H new ATOM 146 N LEU A 11 -1.175 1.996 -5.665 1.00 0.00 N ATOM 147 CA LEU A 11 -1.238 1.415 -4.291 1.00 0.00 C ATOM 148 C LEU A 11 -1.462 -0.093 -4.394 1.00 0.00 C ATOM 149 O LEU A 11 -0.866 -0.875 -3.681 1.00 0.00 O ATOM 150 CB LEU A 11 -2.413 2.043 -3.533 1.00 0.00 C ATOM 151 CG LEU A 11 -1.971 2.470 -2.130 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.080 3.299 -1.485 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.707 1.232 -1.273 1.00 0.00 C ATOM 0 H LEU A 11 -1.916 2.660 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.306 1.616 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.789 2.906 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.233 1.328 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.058 3.062 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.771 3.606 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.273 4.183 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.988 2.700 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.393 1.540 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.619 0.639 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.921 0.633 -1.732 1.00 0.00 H new ATOM 165 N VAL A 12 -2.329 -0.500 -5.278 1.00 0.00 N ATOM 166 CA VAL A 12 -2.624 -1.947 -5.445 1.00 0.00 C ATOM 167 C VAL A 12 -1.454 -2.632 -6.170 1.00 0.00 C ATOM 168 O VAL A 12 -0.968 -3.660 -5.739 1.00 0.00 O ATOM 169 CB VAL A 12 -3.946 -2.074 -6.233 1.00 0.00 C ATOM 170 CG1 VAL A 12 -3.814 -3.040 -7.414 1.00 0.00 C ATOM 171 CG2 VAL A 12 -5.039 -2.579 -5.291 1.00 0.00 C ATOM 0 H VAL A 12 -2.852 0.118 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.739 -2.442 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.200 -1.091 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.766 -3.101 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.043 -2.679 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.539 -4.029 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.977 -2.672 -5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.754 -3.552 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.167 -1.873 -4.470 1.00 0.00 H new ATOM 181 N GLU A 13 -0.997 -2.077 -7.260 1.00 0.00 N ATOM 182 CA GLU A 13 0.138 -2.711 -7.994 1.00 0.00 C ATOM 183 C GLU A 13 1.379 -2.731 -7.100 1.00 0.00 C ATOM 184 O GLU A 13 2.349 -3.408 -7.379 1.00 0.00 O ATOM 185 CB GLU A 13 0.441 -1.913 -9.265 1.00 0.00 C ATOM 186 CG GLU A 13 0.007 -2.721 -10.489 1.00 0.00 C ATOM 187 CD GLU A 13 -0.310 -1.769 -11.644 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.225 -0.975 -11.497 1.00 0.00 O ATOM 189 OE2 GLU A 13 0.367 -1.850 -12.656 1.00 0.00 O ATOM 0 H GLU A 13 -1.357 -1.217 -7.673 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.134 -3.732 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.084 -0.958 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.506 -1.690 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.798 -3.412 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.870 -3.322 -10.249 1.00 0.00 H new ATOM 196 N ALA A 14 1.355 -2.000 -6.022 1.00 0.00 N ATOM 197 CA ALA A 14 2.530 -1.983 -5.111 1.00 0.00 C ATOM 198 C ALA A 14 2.347 -3.073 -4.065 1.00 0.00 C ATOM 199 O ALA A 14 3.093 -4.027 -4.035 1.00 0.00 O ATOM 200 CB ALA A 14 2.644 -0.616 -4.435 1.00 0.00 C ATOM 0 H ALA A 14 0.572 -1.414 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 14 3.444 -2.165 -5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.507 -0.610 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.767 0.156 -5.194 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.740 -0.418 -3.859 1.00 0.00 H new ATOM 206 N LEU A 15 1.342 -2.965 -3.227 1.00 0.00 N ATOM 207 CA LEU A 15 1.102 -4.034 -2.213 1.00 0.00 C ATOM 208 C LEU A 15 1.294 -5.371 -2.918 1.00 0.00 C ATOM 209 O LEU A 15 1.719 -6.351 -2.338 1.00 0.00 O ATOM 210 CB LEU A 15 -0.330 -3.937 -1.672 1.00 0.00 C ATOM 211 CG LEU A 15 -0.398 -2.942 -0.506 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.708 -3.232 0.508 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.247 -1.519 -1.033 1.00 0.00 C ATOM 0 H LEU A 15 0.683 -2.187 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 15 1.790 -3.930 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.005 -3.621 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.667 -4.919 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.365 -3.048 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.646 -2.517 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.589 -4.243 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.680 -3.143 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.296 -0.816 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.714 -1.418 -1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.051 -1.305 -1.737 1.00 0.00 H new ATOM 225 N TYR A 16 1.016 -5.388 -4.191 1.00 0.00 N ATOM 226 CA TYR A 16 1.210 -6.617 -4.989 1.00 0.00 C ATOM 227 C TYR A 16 2.716 -6.893 -5.052 1.00 0.00 C ATOM 228 O TYR A 16 3.191 -7.911 -4.594 1.00 0.00 O ATOM 229 CB TYR A 16 0.633 -6.384 -6.399 1.00 0.00 C ATOM 230 CG TYR A 16 1.512 -7.014 -7.456 1.00 0.00 C ATOM 231 CD1 TYR A 16 1.888 -8.356 -7.338 1.00 0.00 C ATOM 232 CD2 TYR A 16 1.947 -6.256 -8.551 1.00 0.00 C ATOM 233 CE1 TYR A 16 2.699 -8.946 -8.316 1.00 0.00 C ATOM 234 CE2 TYR A 16 2.757 -6.845 -9.532 1.00 0.00 C ATOM 235 CZ TYR A 16 3.134 -8.191 -9.413 1.00 0.00 C ATOM 236 OH TYR A 16 3.929 -8.773 -10.380 1.00 0.00 O ATOM 0 H TYR A 16 0.658 -4.589 -4.714 1.00 0.00 H new ATOM 0 HA TYR A 16 0.701 -7.473 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.371 -6.804 -6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.543 -5.314 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.553 -8.938 -6.492 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.659 -5.219 -8.639 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.989 -9.982 -8.224 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.090 -6.263 -10.379 1.00 0.00 H new ATOM 0 HH TYR A 16 4.140 -8.111 -11.071 1.00 0.00 H new ATOM 246 N LEU A 17 3.472 -5.980 -5.605 1.00 0.00 N ATOM 247 CA LEU A 17 4.946 -6.195 -5.683 1.00 0.00 C ATOM 248 C LEU A 17 5.531 -6.156 -4.266 1.00 0.00 C ATOM 249 O LEU A 17 6.466 -6.863 -3.944 1.00 0.00 O ATOM 250 CB LEU A 17 5.577 -5.108 -6.576 1.00 0.00 C ATOM 251 CG LEU A 17 6.156 -3.966 -5.729 1.00 0.00 C ATOM 252 CD1 LEU A 17 7.523 -4.384 -5.182 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.315 -2.718 -6.599 1.00 0.00 C ATOM 0 H LEU A 17 3.136 -5.103 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 17 5.165 -7.167 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.365 -5.547 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.826 -4.713 -7.260 1.00 0.00 H new ATOM 0 HG LEU A 17 5.483 -3.748 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.937 -3.575 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.411 -5.275 -4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.196 -4.600 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.726 -1.906 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.990 -2.935 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.342 -2.422 -6.992 1.00 0.00 H new ATOM 265 N VAL A 18 4.972 -5.339 -3.419 1.00 0.00 N ATOM 266 CA VAL A 18 5.462 -5.244 -2.018 1.00 0.00 C ATOM 267 C VAL A 18 5.481 -6.635 -1.408 1.00 0.00 C ATOM 268 O VAL A 18 6.424 -7.043 -0.759 1.00 0.00 O ATOM 269 CB VAL A 18 4.496 -4.367 -1.223 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.759 -4.516 0.273 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.683 -2.911 -1.624 1.00 0.00 C ATOM 0 H VAL A 18 4.187 -4.726 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 18 6.464 -4.816 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 18 3.475 -4.681 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.064 -3.886 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.619 -5.557 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.782 -4.212 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.994 -2.286 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.708 -2.604 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.482 -2.798 -2.689 1.00 0.00 H new ATOM 281 N CYS A 19 4.429 -7.354 -1.616 1.00 0.00 N ATOM 282 CA CYS A 19 4.334 -8.730 -1.057 1.00 0.00 C ATOM 283 C CYS A 19 4.666 -9.749 -2.148 1.00 0.00 C ATOM 284 O CYS A 19 5.594 -10.523 -2.028 1.00 0.00 O ATOM 285 CB CYS A 19 2.912 -8.969 -0.543 1.00 0.00 C ATOM 286 SG CYS A 19 2.363 -7.519 0.393 1.00 0.00 S ATOM 0 H CYS A 19 3.618 -7.051 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 19 5.041 -8.841 -0.235 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.237 -9.154 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.886 -9.856 0.090 1.00 0.00 H new ATOM 291 N GLY A 20 3.916 -9.752 -3.213 1.00 0.00 N ATOM 292 CA GLY A 20 4.189 -10.717 -4.315 1.00 0.00 C ATOM 293 C GLY A 20 2.869 -11.307 -4.811 1.00 0.00 C ATOM 294 O GLY A 20 2.765 -12.490 -5.071 1.00 0.00 O ATOM 0 H GLY A 20 3.125 -9.128 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.706 -10.215 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.846 -11.512 -3.963 1.00 0.00 H new ATOM 298 N GLU A 21 1.857 -10.494 -4.941 1.00 0.00 N ATOM 299 CA GLU A 21 0.545 -11.009 -5.419 1.00 0.00 C ATOM 300 C GLU A 21 0.109 -12.183 -4.540 1.00 0.00 C ATOM 301 O GLU A 21 -0.309 -13.213 -5.028 1.00 0.00 O ATOM 302 CB GLU A 21 0.675 -11.478 -6.870 1.00 0.00 C ATOM 303 CG GLU A 21 -0.347 -10.739 -7.734 1.00 0.00 C ATOM 304 CD GLU A 21 -1.740 -11.315 -7.479 1.00 0.00 C ATOM 305 OE1 GLU A 21 -2.034 -12.368 -8.022 1.00 0.00 O ATOM 306 OE2 GLU A 21 -2.491 -10.694 -6.744 1.00 0.00 O ATOM 0 H GLU A 21 1.883 -9.495 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.199 -10.215 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.684 -11.288 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.511 -12.554 -6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.334 -9.674 -7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.088 -10.838 -8.788 1.00 0.00 H new ATOM 313 N ARG A 22 0.198 -12.034 -3.246 1.00 0.00 N ATOM 314 CA ARG A 22 -0.217 -13.139 -2.340 1.00 0.00 C ATOM 315 C ARG A 22 -1.666 -12.917 -1.907 1.00 0.00 C ATOM 316 O ARG A 22 -2.153 -13.539 -0.984 1.00 0.00 O ATOM 317 CB ARG A 22 0.693 -13.161 -1.110 1.00 0.00 C ATOM 318 CG ARG A 22 1.814 -14.180 -1.321 1.00 0.00 C ATOM 319 CD ARG A 22 1.544 -15.420 -0.467 1.00 0.00 C ATOM 320 NE ARG A 22 1.115 -16.546 -1.345 1.00 0.00 N ATOM 321 CZ ARG A 22 0.896 -17.726 -0.830 1.00 0.00 C ATOM 322 NH1 ARG A 22 1.745 -18.233 0.021 1.00 0.00 N ATOM 323 NH2 ARG A 22 -0.170 -18.397 -1.168 1.00 0.00 N ATOM 0 H ARG A 22 0.540 -11.194 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.136 -14.092 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.115 -12.171 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.116 -13.419 -0.222 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.875 -14.457 -2.374 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.774 -13.741 -1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.442 -15.697 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.771 -15.205 0.270 1.00 0.00 H new ATOM 0 HE ARG A 22 0.993 -16.395 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.579 -17.708 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.575 -19.155 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.832 -18.000 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.341 -19.319 -0.766 1.00 0.00 H new ATOM 337 N GLY A 23 -2.360 -12.031 -2.570 1.00 0.00 N ATOM 338 CA GLY A 23 -3.779 -11.766 -2.204 1.00 0.00 C ATOM 339 C GLY A 23 -3.840 -10.757 -1.055 1.00 0.00 C ATOM 340 O GLY A 23 -4.501 -10.978 -0.060 1.00 0.00 O ATOM 0 H GLY A 23 -2.004 -11.479 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.321 -11.380 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.268 -12.695 -1.910 1.00 0.00 H new ATOM 344 N PHE A 24 -3.160 -9.650 -1.183 1.00 0.00 N ATOM 345 CA PHE A 24 -3.186 -8.631 -0.096 1.00 0.00 C ATOM 346 C PHE A 24 -4.637 -8.236 0.193 1.00 0.00 C ATOM 347 O PHE A 24 -5.514 -8.411 -0.628 1.00 0.00 O ATOM 348 CB PHE A 24 -2.397 -7.395 -0.533 1.00 0.00 C ATOM 349 CG PHE A 24 -2.840 -6.980 -1.916 1.00 0.00 C ATOM 350 CD1 PHE A 24 -4.133 -6.482 -2.117 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.956 -7.093 -2.997 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.544 -6.097 -3.400 1.00 0.00 C ATOM 353 CE2 PHE A 24 -2.366 -6.709 -4.280 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.660 -6.210 -4.482 1.00 0.00 C ATOM 0 H PHE A 24 -2.588 -9.408 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.734 -9.047 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.557 -6.580 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.329 -7.612 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.814 -6.395 -1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.958 -7.476 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.542 -5.713 -3.555 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.685 -6.797 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.976 -5.913 -5.471 1.00 0.00 H new ATOM 364 N PHE A 25 -4.896 -7.701 1.355 1.00 0.00 N ATOM 365 CA PHE A 25 -6.287 -7.293 1.698 1.00 0.00 C ATOM 366 C PHE A 25 -6.539 -5.865 1.207 1.00 0.00 C ATOM 367 O PHE A 25 -5.750 -4.972 1.442 1.00 0.00 O ATOM 368 CB PHE A 25 -6.472 -7.349 3.216 1.00 0.00 C ATOM 369 CG PHE A 25 -6.342 -8.778 3.686 1.00 0.00 C ATOM 370 CD1 PHE A 25 -7.038 -9.799 3.026 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.524 -9.084 4.782 1.00 0.00 C ATOM 372 CE1 PHE A 25 -6.917 -11.126 3.462 1.00 0.00 C ATOM 373 CE2 PHE A 25 -5.402 -10.410 5.217 1.00 0.00 C ATOM 374 CZ PHE A 25 -6.098 -11.431 4.558 1.00 0.00 C ATOM 0 H PHE A 25 -4.202 -7.529 2.083 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.993 -7.971 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.726 -6.724 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.450 -6.953 3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.668 -9.564 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.987 -8.297 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.455 -11.913 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.771 -10.645 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.004 -12.453 4.894 1.00 0.00 H new ATOM 384 N TYR A 26 -7.632 -5.640 0.528 1.00 0.00 N ATOM 385 CA TYR A 26 -7.926 -4.266 0.030 1.00 0.00 C ATOM 386 C TYR A 26 -9.383 -3.911 0.330 1.00 0.00 C ATOM 387 O TYR A 26 -10.160 -3.622 -0.560 1.00 0.00 O ATOM 388 CB TYR A 26 -7.683 -4.201 -1.479 1.00 0.00 C ATOM 389 CG TYR A 26 -6.463 -3.355 -1.750 1.00 0.00 C ATOM 390 CD1 TYR A 26 -5.215 -3.745 -1.247 1.00 0.00 C ATOM 391 CD2 TYR A 26 -6.579 -2.176 -2.496 1.00 0.00 C ATOM 392 CE1 TYR A 26 -4.083 -2.957 -1.491 1.00 0.00 C ATOM 393 CE2 TYR A 26 -5.448 -1.387 -2.742 1.00 0.00 C ATOM 394 CZ TYR A 26 -4.201 -1.776 -2.239 1.00 0.00 C ATOM 395 OH TYR A 26 -3.088 -0.998 -2.478 1.00 0.00 O ATOM 0 H TYR A 26 -8.331 -6.346 0.298 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.270 -3.555 0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.541 -5.205 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.553 -3.778 -1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.126 -4.654 -0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.541 -1.874 -2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.121 -3.258 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.538 -0.479 -3.320 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.347 -1.568 -2.772 1.00 0.00 H new ATOM 405 N THR A 27 -9.758 -3.924 1.579 1.00 0.00 N ATOM 406 CA THR A 27 -11.160 -3.582 1.947 1.00 0.00 C ATOM 407 C THR A 27 -11.148 -2.773 3.244 1.00 0.00 C ATOM 408 O THR A 27 -12.012 -2.916 4.087 1.00 0.00 O ATOM 409 CB THR A 27 -11.969 -4.868 2.145 1.00 0.00 C ATOM 410 OG1 THR A 27 -13.285 -4.537 2.570 1.00 0.00 O ATOM 411 CG2 THR A 27 -11.293 -5.742 3.202 1.00 0.00 C ATOM 0 H THR A 27 -9.150 -4.158 2.364 1.00 0.00 H new ATOM 0 HA THR A 27 -11.619 -2.994 1.152 1.00 0.00 H new ATOM 0 HB THR A 27 -12.018 -5.415 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.241 -3.842 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.870 -6.656 3.341 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.285 -5.996 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.242 -5.198 4.145 1.00 0.00 H new ATOM 419 N ASP A 28 -10.169 -1.927 3.410 1.00 0.00 N ATOM 420 CA ASP A 28 -10.087 -1.109 4.651 1.00 0.00 C ATOM 421 C ASP A 28 -11.142 -0.002 4.613 1.00 0.00 C ATOM 422 O ASP A 28 -12.009 0.019 3.763 1.00 0.00 O ATOM 423 CB ASP A 28 -8.694 -0.482 4.751 1.00 0.00 C ATOM 424 CG ASP A 28 -7.755 -1.437 5.489 1.00 0.00 C ATOM 425 OD1 ASP A 28 -7.687 -1.348 6.703 1.00 0.00 O ATOM 426 OD2 ASP A 28 -7.119 -2.239 4.826 1.00 0.00 O ATOM 0 H ASP A 28 -9.420 -1.767 2.736 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.267 -1.746 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.306 -0.272 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.749 0.470 5.279 1.00 0.00 H new ATOM 431 N LYS A 29 -11.071 0.917 5.536 1.00 0.00 N ATOM 432 CA LYS A 29 -12.060 2.030 5.572 1.00 0.00 C ATOM 433 C LYS A 29 -11.519 3.216 4.783 1.00 0.00 C ATOM 434 O LYS A 29 -11.314 4.286 5.321 1.00 0.00 O ATOM 435 CB LYS A 29 -12.260 2.468 7.016 1.00 0.00 C ATOM 436 CG LYS A 29 -13.600 1.942 7.539 1.00 0.00 C ATOM 437 CD LYS A 29 -14.645 3.059 7.488 1.00 0.00 C ATOM 438 CE LYS A 29 -15.327 3.060 6.117 1.00 0.00 C ATOM 439 NZ LYS A 29 -15.473 4.463 5.637 1.00 0.00 N ATOM 0 H LYS A 29 -10.365 0.944 6.272 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.002 1.692 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.445 2.093 7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.236 3.556 7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.929 1.095 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.487 1.582 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.386 2.914 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.171 4.023 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.739 2.480 5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.305 2.584 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -15.936 4.465 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.051 5.003 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.534 4.902 5.557 1.00 0.00 H new ATOM 453 N GLY A 30 -11.268 3.041 3.522 1.00 0.00 N ATOM 454 CA GLY A 30 -10.723 4.169 2.725 1.00 0.00 C ATOM 455 C GLY A 30 -9.234 4.334 3.046 1.00 0.00 C ATOM 456 O GLY A 30 -8.571 5.187 2.497 1.00 0.00 O ATOM 0 H GLY A 30 -11.415 2.172 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.860 3.978 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.262 5.088 2.956 1.00 0.00 H new ATOM 460 N ILE A 31 -8.709 3.527 3.940 1.00 0.00 N ATOM 461 CA ILE A 31 -7.260 3.635 4.304 1.00 0.00 C ATOM 462 C ILE A 31 -6.407 3.971 3.068 1.00 0.00 C ATOM 463 O ILE A 31 -5.352 4.562 3.182 1.00 0.00 O ATOM 464 CB ILE A 31 -6.776 2.303 4.895 1.00 0.00 C ATOM 465 CG1 ILE A 31 -5.447 2.523 5.622 1.00 0.00 C ATOM 466 CG2 ILE A 31 -6.576 1.279 3.774 1.00 0.00 C ATOM 467 CD1 ILE A 31 -5.504 1.864 7.001 1.00 0.00 C ATOM 0 H ILE A 31 -9.223 2.797 4.433 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.152 4.434 5.037 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.522 1.929 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.628 2.102 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.249 3.590 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.233 0.336 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.521 1.120 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.832 1.651 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.558 2.021 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.313 2.306 7.582 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.682 0.795 6.886 1.00 0.00 H new ATOM 479 N VAL A 32 -6.846 3.601 1.893 1.00 0.00 N ATOM 480 CA VAL A 32 -6.047 3.903 0.673 1.00 0.00 C ATOM 481 C VAL A 32 -6.020 5.414 0.452 1.00 0.00 C ATOM 482 O VAL A 32 -5.296 5.917 -0.386 1.00 0.00 O ATOM 483 CB VAL A 32 -6.680 3.202 -0.537 1.00 0.00 C ATOM 484 CG1 VAL A 32 -6.232 3.880 -1.836 1.00 0.00 C ATOM 485 CG2 VAL A 32 -6.237 1.737 -0.556 1.00 0.00 C ATOM 0 H VAL A 32 -7.721 3.104 1.728 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.026 3.541 0.798 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.765 3.265 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.688 3.373 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.542 4.925 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.147 3.825 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.683 1.233 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.151 1.686 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.561 1.247 0.362 1.00 0.00 H new ATOM 495 N GLU A 33 -6.797 6.145 1.199 1.00 0.00 N ATOM 496 CA GLU A 33 -6.806 7.618 1.030 1.00 0.00 C ATOM 497 C GLU A 33 -5.565 8.213 1.702 1.00 0.00 C ATOM 498 O GLU A 33 -5.380 9.413 1.733 1.00 0.00 O ATOM 499 CB GLU A 33 -8.068 8.203 1.669 1.00 0.00 C ATOM 500 CG GLU A 33 -7.991 8.049 3.190 1.00 0.00 C ATOM 501 CD GLU A 33 -9.304 8.522 3.817 1.00 0.00 C ATOM 502 OE1 GLU A 33 -9.481 9.723 3.939 1.00 0.00 O ATOM 503 OE2 GLU A 33 -10.110 7.676 4.164 1.00 0.00 O ATOM 0 H GLU A 33 -7.425 5.784 1.918 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.797 7.862 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.167 9.256 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.952 7.693 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.805 7.007 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.157 8.631 3.583 1.00 0.00 H new ATOM 510 N GLN A 34 -4.716 7.381 2.246 1.00 0.00 N ATOM 511 CA GLN A 34 -3.493 7.897 2.921 1.00 0.00 C ATOM 512 C GLN A 34 -2.302 7.819 1.962 1.00 0.00 C ATOM 513 O GLN A 34 -1.303 8.486 2.145 1.00 0.00 O ATOM 514 CB GLN A 34 -3.203 7.047 4.161 1.00 0.00 C ATOM 515 CG GLN A 34 -3.078 7.951 5.389 1.00 0.00 C ATOM 516 CD GLN A 34 -3.457 7.161 6.644 1.00 0.00 C ATOM 517 OE1 GLN A 34 -4.398 7.505 7.331 1.00 0.00 O ATOM 518 NE2 GLN A 34 -2.760 6.107 6.973 1.00 0.00 N ATOM 0 H GLN A 34 -4.818 6.366 2.251 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.652 8.935 3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.003 6.322 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.282 6.481 4.019 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.058 8.325 5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.728 8.819 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.970 5.818 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.006 5.573 7.807 1.00 0.00 H new ATOM 527 N CYS A 35 -2.394 7.005 0.947 1.00 0.00 N ATOM 528 CA CYS A 35 -1.258 6.885 -0.011 1.00 0.00 C ATOM 529 C CYS A 35 -1.695 7.334 -1.406 1.00 0.00 C ATOM 530 O CYS A 35 -0.952 7.223 -2.360 1.00 0.00 O ATOM 531 CB CYS A 35 -0.801 5.428 -0.071 1.00 0.00 C ATOM 532 SG CYS A 35 -0.219 4.916 1.561 1.00 0.00 S ATOM 0 H CYS A 35 -3.203 6.420 0.739 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.438 7.519 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.624 4.790 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.004 5.315 -0.806 1.00 0.00 H new ATOM 537 N CYS A 36 -2.888 7.841 -1.543 1.00 0.00 N ATOM 538 CA CYS A 36 -3.348 8.289 -2.888 1.00 0.00 C ATOM 539 C CYS A 36 -3.096 9.790 -3.040 1.00 0.00 C ATOM 540 O CYS A 36 -2.885 10.287 -4.129 1.00 0.00 O ATOM 541 CB CYS A 36 -4.844 8.003 -3.040 1.00 0.00 C ATOM 542 SG CYS A 36 -5.460 8.790 -4.549 1.00 0.00 S ATOM 0 H CYS A 36 -3.562 7.964 -0.787 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.797 7.749 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.017 6.928 -3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.387 8.380 -2.173 1.00 0.00 H new ATOM 547 N THR A 37 -3.119 10.517 -1.956 1.00 0.00 N ATOM 548 CA THR A 37 -2.882 11.986 -2.041 1.00 0.00 C ATOM 549 C THR A 37 -1.459 12.304 -1.577 1.00 0.00 C ATOM 550 O THR A 37 -0.778 13.129 -2.153 1.00 0.00 O ATOM 551 CB THR A 37 -3.886 12.714 -1.146 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.384 12.760 0.183 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.222 11.970 -1.164 1.00 0.00 C ATOM 0 H THR A 37 -3.291 10.158 -1.017 1.00 0.00 H new ATOM 0 HA THR A 37 -3.007 12.315 -3.073 1.00 0.00 H new ATOM 0 HB THR A 37 -4.034 13.729 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.025 13.228 0.759 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.937 12.490 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.605 11.935 -2.184 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.078 10.954 -0.795 1.00 0.00 H new ATOM 561 N SER A 38 -1.003 11.657 -0.539 1.00 0.00 N ATOM 562 CA SER A 38 0.376 11.923 -0.042 1.00 0.00 C ATOM 563 C SER A 38 1.279 10.736 -0.385 1.00 0.00 C ATOM 564 O SER A 38 0.976 9.949 -1.260 1.00 0.00 O ATOM 565 CB SER A 38 0.344 12.121 1.475 1.00 0.00 C ATOM 566 OG SER A 38 -0.830 12.841 1.829 1.00 0.00 O ATOM 0 H SER A 38 -1.526 10.956 -0.014 1.00 0.00 H new ATOM 0 HA SER A 38 0.765 12.824 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.359 11.155 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.231 12.665 1.801 1.00 0.00 H new ATOM 0 HG SER A 38 -0.855 12.968 2.800 1.00 0.00 H new ATOM 572 N ILE A 39 2.385 10.599 0.295 1.00 0.00 N ATOM 573 CA ILE A 39 3.302 9.461 0.001 1.00 0.00 C ATOM 574 C ILE A 39 2.945 8.268 0.889 1.00 0.00 C ATOM 575 O ILE A 39 2.377 8.420 1.953 1.00 0.00 O ATOM 576 CB ILE A 39 4.746 9.888 0.269 1.00 0.00 C ATOM 577 CG1 ILE A 39 4.955 11.318 -0.239 1.00 0.00 C ATOM 578 CG2 ILE A 39 5.705 8.943 -0.460 1.00 0.00 C ATOM 579 CD1 ILE A 39 4.372 11.450 -1.649 1.00 0.00 C ATOM 0 H ILE A 39 2.693 11.224 1.040 1.00 0.00 H new ATOM 0 HA ILE A 39 3.197 9.173 -1.045 1.00 0.00 H new ATOM 0 HB ILE A 39 4.944 9.848 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.473 12.028 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.018 11.560 -0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.733 9.249 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.556 7.925 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.509 8.982 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.521 12.468 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.874 10.751 -2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.306 11.226 -1.624 1.00 0.00 H new ATOM 591 N CYS A 40 3.273 7.080 0.458 1.00 0.00 N ATOM 592 CA CYS A 40 2.954 5.874 1.273 1.00 0.00 C ATOM 593 C CYS A 40 4.188 5.463 2.082 1.00 0.00 C ATOM 594 O CYS A 40 5.071 6.258 2.334 1.00 0.00 O ATOM 595 CB CYS A 40 2.546 4.727 0.342 1.00 0.00 C ATOM 596 SG CYS A 40 1.321 3.675 1.162 1.00 0.00 S ATOM 0 H CYS A 40 3.749 6.893 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 40 2.134 6.100 1.955 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.133 5.128 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.422 4.137 0.071 1.00 0.00 H new ATOM 601 N SER A 41 4.254 4.223 2.487 1.00 0.00 N ATOM 602 CA SER A 41 5.418 3.748 3.273 1.00 0.00 C ATOM 603 C SER A 41 5.467 2.226 3.169 1.00 0.00 C ATOM 604 O SER A 41 4.778 1.523 3.883 1.00 0.00 O ATOM 605 CB SER A 41 5.254 4.159 4.735 1.00 0.00 C ATOM 606 OG SER A 41 6.438 4.810 5.175 1.00 0.00 O ATOM 0 H SER A 41 3.542 3.516 2.303 1.00 0.00 H new ATOM 0 HA SER A 41 6.340 4.185 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.397 4.824 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.057 3.282 5.351 1.00 0.00 H new ATOM 0 HG SER A 41 6.336 5.077 6.112 1.00 0.00 H new ATOM 612 N LEU A 42 6.259 1.715 2.268 1.00 0.00 N ATOM 613 CA LEU A 42 6.344 0.236 2.090 1.00 0.00 C ATOM 614 C LEU A 42 6.326 -0.469 3.455 1.00 0.00 C ATOM 615 O LEU A 42 5.939 -1.616 3.555 1.00 0.00 O ATOM 616 CB LEU A 42 7.603 -0.122 1.264 1.00 0.00 C ATOM 617 CG LEU A 42 8.801 -0.516 2.146 1.00 0.00 C ATOM 618 CD1 LEU A 42 9.003 0.512 3.256 1.00 0.00 C ATOM 619 CD2 LEU A 42 8.571 -1.903 2.755 1.00 0.00 C ATOM 0 H LEU A 42 6.854 2.260 1.644 1.00 0.00 H new ATOM 0 HA LEU A 42 5.474 -0.116 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.368 -0.945 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.879 0.730 0.643 1.00 0.00 H new ATOM 0 HG LEU A 42 9.697 -0.543 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.854 0.220 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.193 1.491 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.107 0.560 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.424 -2.173 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.667 -1.887 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.458 -2.637 1.957 1.00 0.00 H new ATOM 631 N TYR A 43 6.709 0.203 4.511 1.00 0.00 N ATOM 632 CA TYR A 43 6.669 -0.447 5.849 1.00 0.00 C ATOM 633 C TYR A 43 5.204 -0.618 6.245 1.00 0.00 C ATOM 634 O TYR A 43 4.780 -1.670 6.682 1.00 0.00 O ATOM 635 CB TYR A 43 7.376 0.447 6.875 1.00 0.00 C ATOM 636 CG TYR A 43 8.375 -0.367 7.659 1.00 0.00 C ATOM 637 CD1 TYR A 43 7.977 -1.029 8.828 1.00 0.00 C ATOM 638 CD2 TYR A 43 9.703 -0.457 7.222 1.00 0.00 C ATOM 639 CE1 TYR A 43 8.905 -1.783 9.559 1.00 0.00 C ATOM 640 CE2 TYR A 43 10.632 -1.210 7.953 1.00 0.00 C ATOM 641 CZ TYR A 43 10.233 -1.873 9.122 1.00 0.00 C ATOM 642 OH TYR A 43 11.148 -2.613 9.842 1.00 0.00 O ATOM 0 H TYR A 43 7.045 1.166 4.502 1.00 0.00 H new ATOM 0 HA TYR A 43 7.171 -1.414 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.881 1.269 6.368 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.644 0.890 7.550 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.954 -0.958 9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.011 0.054 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.597 -2.294 10.459 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.656 -1.279 7.616 1.00 0.00 H new ATOM 0 HH TYR A 43 12.022 -2.572 9.401 1.00 0.00 H new ATOM 652 N GLN A 44 4.423 0.414 6.071 1.00 0.00 N ATOM 653 CA GLN A 44 2.978 0.332 6.412 1.00 0.00 C ATOM 654 C GLN A 44 2.275 -0.551 5.381 1.00 0.00 C ATOM 655 O GLN A 44 1.433 -1.364 5.710 1.00 0.00 O ATOM 656 CB GLN A 44 2.371 1.736 6.371 1.00 0.00 C ATOM 657 CG GLN A 44 3.205 2.677 7.242 1.00 0.00 C ATOM 658 CD GLN A 44 2.499 2.900 8.580 1.00 0.00 C ATOM 659 OE1 GLN A 44 1.642 2.129 8.965 1.00 0.00 O ATOM 660 NE2 GLN A 44 2.827 3.930 9.311 1.00 0.00 N ATOM 0 H GLN A 44 4.729 1.316 5.705 1.00 0.00 H new ATOM 0 HA GLN A 44 2.855 -0.091 7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.343 2.102 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.341 1.709 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.195 2.253 7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.348 3.630 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.546 4.577 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.364 4.088 10.206 1.00 0.00 H new ATOM 669 N LEU A 45 2.621 -0.396 4.134 1.00 0.00 N ATOM 670 CA LEU A 45 1.982 -1.223 3.076 1.00 0.00 C ATOM 671 C LEU A 45 2.234 -2.704 3.371 1.00 0.00 C ATOM 672 O LEU A 45 1.452 -3.563 3.016 1.00 0.00 O ATOM 673 CB LEU A 45 2.597 -0.872 1.713 1.00 0.00 C ATOM 674 CG LEU A 45 1.959 0.388 1.090 1.00 0.00 C ATOM 675 CD1 LEU A 45 1.882 0.198 -0.423 1.00 0.00 C ATOM 676 CD2 LEU A 45 0.544 0.623 1.620 1.00 0.00 C ATOM 0 H LEU A 45 3.320 0.269 3.802 1.00 0.00 H new ATOM 0 HA LEU A 45 0.910 -1.026 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.669 -0.714 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.472 -1.714 1.033 1.00 0.00 H new ATOM 0 HG LEU A 45 2.574 1.249 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.433 1.081 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.886 0.054 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.272 -0.677 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.127 1.518 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.083 -0.235 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.578 0.754 2.702 1.00 0.00 H new ATOM 688 N GLU A 46 3.323 -3.006 4.020 1.00 0.00 N ATOM 689 CA GLU A 46 3.639 -4.427 4.341 1.00 0.00 C ATOM 690 C GLU A 46 2.624 -4.984 5.349 1.00 0.00 C ATOM 691 O GLU A 46 2.686 -6.138 5.722 1.00 0.00 O ATOM 692 CB GLU A 46 5.044 -4.508 4.946 1.00 0.00 C ATOM 693 CG GLU A 46 6.090 -4.456 3.829 1.00 0.00 C ATOM 694 CD GLU A 46 6.579 -5.873 3.523 1.00 0.00 C ATOM 695 OE1 GLU A 46 5.777 -6.788 3.613 1.00 0.00 O ATOM 696 OE2 GLU A 46 7.747 -6.021 3.204 1.00 0.00 O ATOM 0 H GLU A 46 4.012 -2.327 4.344 1.00 0.00 H new ATOM 0 HA GLU A 46 3.591 -5.016 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.199 -3.683 5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.152 -5.431 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.660 -4.007 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.928 -3.827 4.130 1.00 0.00 H new ATOM 703 N ASN A 47 1.701 -4.180 5.807 1.00 0.00 N ATOM 704 CA ASN A 47 0.711 -4.686 6.802 1.00 0.00 C ATOM 705 C ASN A 47 -0.680 -4.836 6.168 1.00 0.00 C ATOM 706 O ASN A 47 -1.686 -4.743 6.844 1.00 0.00 O ATOM 707 CB ASN A 47 0.630 -3.710 7.976 1.00 0.00 C ATOM 708 CG ASN A 47 1.723 -4.047 8.993 1.00 0.00 C ATOM 709 OD1 ASN A 47 2.344 -5.088 8.912 1.00 0.00 O ATOM 710 ND2 ASN A 47 1.986 -3.206 9.956 1.00 0.00 N ATOM 0 H ASN A 47 1.590 -3.202 5.538 1.00 0.00 H new ATOM 0 HA ASN A 47 1.040 -5.666 7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.751 -2.686 7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.351 -3.771 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.712 -3.423 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.466 -2.331 10.026 1.00 0.00 H new ATOM 717 N TYR A 48 -0.756 -5.084 4.886 1.00 0.00 N ATOM 718 CA TYR A 48 -2.094 -5.258 4.245 1.00 0.00 C ATOM 719 C TYR A 48 -2.080 -6.525 3.390 1.00 0.00 C ATOM 720 O TYR A 48 -2.884 -6.688 2.493 1.00 0.00 O ATOM 721 CB TYR A 48 -2.421 -4.058 3.348 1.00 0.00 C ATOM 722 CG TYR A 48 -2.258 -2.768 4.115 1.00 0.00 C ATOM 723 CD1 TYR A 48 -3.175 -2.416 5.117 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.190 -1.917 3.815 1.00 0.00 C ATOM 725 CE1 TYR A 48 -3.014 -1.213 5.818 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.029 -0.715 4.514 1.00 0.00 C ATOM 727 CZ TYR A 48 -1.942 -0.363 5.516 1.00 0.00 C ATOM 728 OH TYR A 48 -1.786 0.823 6.206 1.00 0.00 O ATOM 0 H TYR A 48 0.044 -5.173 4.259 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.850 -5.335 5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.764 -4.057 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.442 -4.141 2.977 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.003 -3.070 5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.487 -2.188 3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.717 -0.941 6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.202 -0.060 4.281 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.993 1.293 5.874 1.00 0.00 H new ATOM 738 N CYS A 49 -1.170 -7.422 3.652 1.00 0.00 N ATOM 739 CA CYS A 49 -1.108 -8.672 2.845 1.00 0.00 C ATOM 740 C CYS A 49 -0.477 -9.793 3.671 1.00 0.00 C ATOM 741 O CYS A 49 -0.266 -9.661 4.861 1.00 0.00 O ATOM 742 CB CYS A 49 -0.265 -8.426 1.591 1.00 0.00 C ATOM 743 SG CYS A 49 1.485 -8.292 2.040 1.00 0.00 S ATOM 0 H CYS A 49 -0.468 -7.344 4.388 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.118 -8.964 2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.406 -9.242 0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.593 -7.512 1.095 1.00 0.00 H new ATOM 748 N ASN A 50 -0.171 -10.896 3.046 1.00 0.00 N ATOM 749 CA ASN A 50 0.450 -12.027 3.788 1.00 0.00 C ATOM 750 C ASN A 50 1.953 -12.060 3.503 1.00 0.00 C ATOM 751 O ASN A 50 2.316 -12.016 2.339 1.00 0.00 O ATOM 752 CB ASN A 50 -0.186 -13.342 3.335 1.00 0.00 C ATOM 753 CG ASN A 50 -1.040 -13.915 4.470 1.00 0.00 C ATOM 754 OD1 ASN A 50 -0.696 -13.785 5.628 1.00 0.00 O ATOM 755 ND2 ASN A 50 -2.144 -14.547 4.184 1.00 0.00 N ATOM 756 OXT ASN A 50 2.716 -12.129 4.453 1.00 0.00 O ATOM 0 H ASN A 50 -0.325 -11.063 2.052 1.00 0.00 H new ATOM 0 HA ASN A 50 0.287 -11.894 4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.802 -13.175 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.589 -14.055 3.053 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.719 -14.933 4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.432 -14.656 3.212 1.00 0.00 H new TER 763 ASN A 50