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 USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 3 ASN : amide:sc= -0.0637 K(o=-0.064,f=-1.9!) USER MOD Set 2.2: A 4 GLN : amide:sc= 0 X(o=-0.064,f=-0.16) USER MOD Single : A 1 PHE N :NH3+ -143:sc= -0.858! (180deg=-2.4!) USER MOD Single : A 5 HIS : no HD1:sc= -2.6 X(o=-2.6,f=-2.5) 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 -176:sc= -1.93 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.245 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=-0.0059) 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 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 10.346 0.322 -2.837 1.00 0.00 N ATOM 2 CA PHE A 1 9.417 0.573 -3.975 1.00 0.00 C ATOM 3 C PHE A 1 9.266 2.082 -4.197 1.00 0.00 C ATOM 4 O PHE A 1 10.178 2.849 -3.957 1.00 0.00 O ATOM 5 CB PHE A 1 8.051 -0.053 -3.673 1.00 0.00 C ATOM 6 CG PHE A 1 7.264 0.814 -2.714 1.00 0.00 C ATOM 7 CD1 PHE A 1 7.915 1.516 -1.689 1.00 0.00 C ATOM 8 CD2 PHE A 1 5.871 0.909 -2.848 1.00 0.00 C ATOM 9 CE1 PHE A 1 7.175 2.310 -0.803 1.00 0.00 C ATOM 10 CE2 PHE A 1 5.133 1.703 -1.963 1.00 0.00 C ATOM 11 CZ PHE A 1 5.784 2.403 -0.940 1.00 0.00 C ATOM 0 H1 PHE A 1 10.925 -0.518 -3.040 1.00 0.00 H new ATOM 0 H2 PHE A 1 10.966 1.147 -2.706 1.00 0.00 H new ATOM 0 H3 PHE A 1 9.796 0.161 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 1 9.823 0.121 -4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 1 7.491 -0.180 -4.599 1.00 0.00 H new ATOM 0 HB3 PHE A 1 8.187 -1.046 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 1 8.987 1.444 -1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 1 5.367 0.368 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 1 7.677 2.850 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 1 4.061 1.776 -2.069 1.00 0.00 H new ATOM 0 HZ PHE A 1 5.214 3.015 -0.257 1.00 0.00 H new ATOM 23 N VAL A 2 8.123 2.511 -4.658 1.00 0.00 N ATOM 24 CA VAL A 2 7.916 3.966 -4.899 1.00 0.00 C ATOM 25 C VAL A 2 7.573 4.658 -3.578 1.00 0.00 C ATOM 26 O VAL A 2 6.959 4.078 -2.704 1.00 0.00 O ATOM 27 CB VAL A 2 6.768 4.162 -5.893 1.00 0.00 C ATOM 28 CG1 VAL A 2 5.460 3.670 -5.270 1.00 0.00 C ATOM 29 CG2 VAL A 2 6.640 5.647 -6.241 1.00 0.00 C ATOM 0 H VAL A 2 7.324 1.916 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 2 8.828 4.399 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 2 6.974 3.593 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.644 3.810 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 2 5.549 2.612 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.253 4.237 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.823 5.786 -6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.436 6.217 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 2 7.570 5.997 -6.688 1.00 0.00 H new ATOM 39 N ASN A 3 7.961 5.894 -3.427 1.00 0.00 N ATOM 40 CA ASN A 3 7.656 6.625 -2.164 1.00 0.00 C ATOM 41 C ASN A 3 7.346 8.088 -2.487 1.00 0.00 C ATOM 42 O ASN A 3 7.814 8.993 -1.825 1.00 0.00 O ATOM 43 CB ASN A 3 8.864 6.555 -1.228 1.00 0.00 C ATOM 44 CG ASN A 3 10.149 6.656 -2.050 1.00 0.00 C ATOM 45 OD1 ASN A 3 10.279 7.523 -2.891 1.00 0.00 O ATOM 46 ND2 ASN A 3 11.111 5.801 -1.842 1.00 0.00 N ATOM 0 H ASN A 3 8.477 6.431 -4.124 1.00 0.00 H new ATOM 0 HA ASN A 3 6.794 6.168 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.821 7.364 -0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.850 5.620 -0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.972 5.860 -2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.002 5.073 -1.136 1.00 0.00 H new ATOM 53 N GLN A 4 6.558 8.324 -3.500 1.00 0.00 N ATOM 54 CA GLN A 4 6.213 9.727 -3.869 1.00 0.00 C ATOM 55 C GLN A 4 4.695 9.867 -3.923 1.00 0.00 C ATOM 56 O GLN A 4 4.118 10.793 -3.388 1.00 0.00 O ATOM 57 CB GLN A 4 6.804 10.051 -5.244 1.00 0.00 C ATOM 58 CG GLN A 4 7.485 11.419 -5.201 1.00 0.00 C ATOM 59 CD GLN A 4 9.002 11.231 -5.173 1.00 0.00 C ATOM 60 OE1 GLN A 4 9.511 10.425 -4.419 1.00 0.00 O ATOM 61 NE2 GLN A 4 9.751 11.944 -5.970 1.00 0.00 N ATOM 0 H GLN A 4 6.137 7.605 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 4 6.621 10.415 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 4 7.524 9.284 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.017 10.049 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.197 12.008 -6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.160 11.972 -4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.323 12.620 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 4 10.764 11.825 -5.960 1.00 0.00 H new ATOM 70 N HIS A 5 4.053 8.943 -4.565 1.00 0.00 N ATOM 71 CA HIS A 5 2.570 8.976 -4.674 1.00 0.00 C ATOM 72 C HIS A 5 2.095 7.608 -5.163 1.00 0.00 C ATOM 73 O HIS A 5 2.648 7.048 -6.088 1.00 0.00 O ATOM 74 CB HIS A 5 2.152 10.053 -5.678 1.00 0.00 C ATOM 75 CG HIS A 5 1.791 11.317 -4.943 1.00 0.00 C ATOM 76 ND1 HIS A 5 1.747 12.534 -5.589 1.00 0.00 N ATOM 77 CD2 HIS A 5 1.458 11.535 -3.633 1.00 0.00 C ATOM 78 CE1 HIS A 5 1.393 13.445 -4.670 1.00 0.00 C ATOM 79 NE2 HIS A 5 1.205 12.879 -3.459 1.00 0.00 N ATOM 0 H HIS A 5 4.497 8.150 -5.028 1.00 0.00 H new ATOM 0 HA HIS A 5 2.126 9.205 -3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.965 10.247 -6.378 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.302 9.706 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 5 1.403 10.779 -2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.273 14.499 -4.874 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.933 13.348 -2.595 1.00 0.00 H new ATOM 87 N LEU A 6 1.092 7.048 -4.545 1.00 0.00 N ATOM 88 CA LEU A 6 0.627 5.703 -4.986 1.00 0.00 C ATOM 89 C LEU A 6 -0.743 5.800 -5.658 1.00 0.00 C ATOM 90 O LEU A 6 -0.890 5.567 -6.843 1.00 0.00 O ATOM 91 CB LEU A 6 0.540 4.775 -3.776 1.00 0.00 C ATOM 92 CG LEU A 6 1.941 4.272 -3.421 1.00 0.00 C ATOM 93 CD1 LEU A 6 2.461 3.375 -4.547 1.00 0.00 C ATOM 94 CD2 LEU A 6 2.882 5.466 -3.244 1.00 0.00 C ATOM 0 H LEU A 6 0.580 7.457 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 6 1.340 5.304 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.106 5.304 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.116 3.933 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 6 1.898 3.702 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.459 3.016 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.791 2.525 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.504 3.944 -5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.880 5.108 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.925 6.036 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.512 6.105 -2.443 1.00 0.00 H new ATOM 106 N CYS A 7 -1.748 6.129 -4.904 1.00 0.00 N ATOM 107 CA CYS A 7 -3.119 6.234 -5.481 1.00 0.00 C ATOM 108 C CYS A 7 -3.590 4.854 -5.951 1.00 0.00 C ATOM 109 O CYS A 7 -2.924 4.205 -6.730 1.00 0.00 O ATOM 110 CB CYS A 7 -3.104 7.198 -6.667 1.00 0.00 C ATOM 111 SG CYS A 7 -4.211 8.588 -6.323 1.00 0.00 S ATOM 0 H CYS A 7 -1.683 6.332 -3.906 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.801 6.608 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.091 7.560 -6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.420 6.682 -7.574 1.00 0.00 H new ATOM 116 N GLY A 8 -4.741 4.427 -5.470 1.00 0.00 N ATOM 117 CA GLY A 8 -5.334 3.094 -5.840 1.00 0.00 C ATOM 118 C GLY A 8 -4.465 2.337 -6.852 1.00 0.00 C ATOM 119 O GLY A 8 -3.755 1.416 -6.504 1.00 0.00 O ATOM 0 H GLY A 8 -5.310 4.965 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.454 2.489 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.329 3.244 -6.258 1.00 0.00 H new ATOM 123 N SER A 9 -4.532 2.716 -8.101 1.00 0.00 N ATOM 124 CA SER A 9 -3.725 2.025 -9.151 1.00 0.00 C ATOM 125 C SER A 9 -2.344 1.660 -8.602 1.00 0.00 C ATOM 126 O SER A 9 -1.981 0.503 -8.537 1.00 0.00 O ATOM 127 CB SER A 9 -3.560 2.953 -10.355 1.00 0.00 C ATOM 128 OG SER A 9 -4.708 2.853 -11.186 1.00 0.00 O ATOM 0 H SER A 9 -5.115 3.480 -8.442 1.00 0.00 H new ATOM 0 HA SER A 9 -4.241 1.113 -9.452 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.428 3.982 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.666 2.683 -10.917 1.00 0.00 H new ATOM 0 HG SER A 9 -4.606 3.448 -11.958 1.00 0.00 H new ATOM 134 N ASP A 10 -1.572 2.634 -8.205 1.00 0.00 N ATOM 135 CA ASP A 10 -0.222 2.326 -7.662 1.00 0.00 C ATOM 136 C ASP A 10 -0.368 1.753 -6.251 1.00 0.00 C ATOM 137 O ASP A 10 0.469 1.010 -5.780 1.00 0.00 O ATOM 138 CB ASP A 10 0.607 3.605 -7.608 1.00 0.00 C ATOM 139 CG ASP A 10 2.036 3.311 -8.070 1.00 0.00 C ATOM 140 OD1 ASP A 10 2.804 2.806 -7.268 1.00 0.00 O ATOM 141 OD2 ASP A 10 2.336 3.593 -9.218 1.00 0.00 O ATOM 0 H ASP A 10 -1.817 3.624 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 10 0.276 1.599 -8.304 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.158 4.368 -8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.617 4.001 -6.593 1.00 0.00 H new ATOM 146 N LEU A 11 -1.431 2.094 -5.574 1.00 0.00 N ATOM 147 CA LEU A 11 -1.639 1.571 -4.195 1.00 0.00 C ATOM 148 C LEU A 11 -1.538 0.044 -4.208 1.00 0.00 C ATOM 149 O LEU A 11 -0.739 -0.538 -3.503 1.00 0.00 O ATOM 150 CB LEU A 11 -3.024 1.989 -3.695 1.00 0.00 C ATOM 151 CG LEU A 11 -2.882 2.818 -2.416 1.00 0.00 C ATOM 152 CD1 LEU A 11 -1.979 2.084 -1.424 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.264 4.175 -2.757 1.00 0.00 C ATOM 0 H LEU A 11 -2.165 2.713 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.876 1.979 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.538 2.570 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.633 1.106 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.865 2.965 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.880 2.677 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.417 1.116 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.995 1.935 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.162 4.767 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.282 4.025 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.908 4.701 -3.462 1.00 0.00 H new ATOM 165 N VAL A 12 -2.344 -0.611 -5.001 1.00 0.00 N ATOM 166 CA VAL A 12 -2.288 -2.100 -5.049 1.00 0.00 C ATOM 167 C VAL A 12 -1.139 -2.530 -5.966 1.00 0.00 C ATOM 168 O VAL A 12 -0.371 -3.414 -5.639 1.00 0.00 O ATOM 169 CB VAL A 12 -3.629 -2.658 -5.557 1.00 0.00 C ATOM 170 CG1 VAL A 12 -4.765 -1.745 -5.101 1.00 0.00 C ATOM 171 CG2 VAL A 12 -3.636 -2.735 -7.086 1.00 0.00 C ATOM 0 H VAL A 12 -3.036 -0.181 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.111 -2.496 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.764 -3.660 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.715 -2.139 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.780 -1.699 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.612 -0.744 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.593 -3.132 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.489 -1.738 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.832 -3.390 -7.421 1.00 0.00 H new ATOM 181 N GLU A 13 -1.003 -1.902 -7.105 1.00 0.00 N ATOM 182 CA GLU A 13 0.112 -2.269 -8.023 1.00 0.00 C ATOM 183 C GLU A 13 1.389 -2.386 -7.193 1.00 0.00 C ATOM 184 O GLU A 13 2.288 -3.142 -7.507 1.00 0.00 O ATOM 185 CB GLU A 13 0.288 -1.182 -9.085 1.00 0.00 C ATOM 186 CG GLU A 13 1.612 -1.398 -9.818 1.00 0.00 C ATOM 187 CD GLU A 13 1.578 -2.741 -10.549 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.534 -3.372 -10.540 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.597 -3.115 -11.105 1.00 0.00 O ATOM 0 H GLU A 13 -1.613 -1.155 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.106 -3.213 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.541 -1.211 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.274 -0.197 -8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.782 -0.589 -10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.440 -1.379 -9.109 1.00 0.00 H new ATOM 196 N ALA A 14 1.453 -1.654 -6.116 1.00 0.00 N ATOM 197 CA ALA A 14 2.640 -1.722 -5.226 1.00 0.00 C ATOM 198 C ALA A 14 2.435 -2.897 -4.281 1.00 0.00 C ATOM 199 O ALA A 14 3.190 -3.839 -4.299 1.00 0.00 O ATOM 200 CB ALA A 14 2.770 -0.420 -4.430 1.00 0.00 C ATOM 0 H ALA A 14 0.726 -1.006 -5.814 1.00 0.00 H new ATOM 0 HA ALA A 14 3.552 -1.855 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.643 -0.477 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.885 0.417 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.875 -0.273 -3.825 1.00 0.00 H new ATOM 206 N LEU A 15 1.395 -2.865 -3.478 1.00 0.00 N ATOM 207 CA LEU A 15 1.115 -4.007 -2.559 1.00 0.00 C ATOM 208 C LEU A 15 1.411 -5.299 -3.317 1.00 0.00 C ATOM 209 O LEU A 15 1.867 -6.279 -2.761 1.00 0.00 O ATOM 210 CB LEU A 15 -0.359 -3.979 -2.142 1.00 0.00 C ATOM 211 CG LEU A 15 -0.492 -3.312 -0.770 1.00 0.00 C ATOM 212 CD1 LEU A 15 -0.839 -1.833 -0.950 1.00 0.00 C ATOM 213 CD2 LEU A 15 -1.604 -4.001 0.024 1.00 0.00 C ATOM 0 H LEU A 15 0.730 -2.094 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 15 1.734 -3.940 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.946 -3.434 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.756 -4.993 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 15 0.452 -3.400 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.933 -1.360 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.049 -1.340 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.782 -1.744 -1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.700 -3.528 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.546 -3.912 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.359 -5.055 0.154 1.00 0.00 H new ATOM 225 N TYR A 16 1.190 -5.278 -4.605 1.00 0.00 N ATOM 226 CA TYR A 16 1.493 -6.468 -5.439 1.00 0.00 C ATOM 227 C TYR A 16 3.018 -6.593 -5.504 1.00 0.00 C ATOM 228 O TYR A 16 3.586 -7.601 -5.133 1.00 0.00 O ATOM 229 CB TYR A 16 0.881 -6.269 -6.844 1.00 0.00 C ATOM 230 CG TYR A 16 1.885 -6.589 -7.934 1.00 0.00 C ATOM 231 CD1 TYR A 16 2.496 -7.850 -7.974 1.00 0.00 C ATOM 232 CD2 TYR A 16 2.202 -5.625 -8.901 1.00 0.00 C ATOM 233 CE1 TYR A 16 3.425 -8.146 -8.981 1.00 0.00 C ATOM 234 CE2 TYR A 16 3.130 -5.922 -9.908 1.00 0.00 C ATOM 235 CZ TYR A 16 3.742 -7.183 -9.949 1.00 0.00 C ATOM 236 OH TYR A 16 4.657 -7.474 -10.939 1.00 0.00 O ATOM 0 H TYR A 16 0.810 -4.480 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 16 1.068 -7.380 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.005 -6.908 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.540 -5.239 -6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.251 -8.593 -7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.731 -4.654 -8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.897 -9.117 -9.011 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.374 -5.179 -10.653 1.00 0.00 H new ATOM 0 HH TYR A 16 4.760 -6.697 -11.528 1.00 0.00 H new ATOM 246 N LEU A 17 3.684 -5.556 -5.941 1.00 0.00 N ATOM 247 CA LEU A 17 5.172 -5.602 -5.993 1.00 0.00 C ATOM 248 C LEU A 17 5.687 -5.719 -4.556 1.00 0.00 C ATOM 249 O LEU A 17 6.794 -6.153 -4.306 1.00 0.00 O ATOM 250 CB LEU A 17 5.706 -4.312 -6.625 1.00 0.00 C ATOM 251 CG LEU A 17 5.710 -4.448 -8.149 1.00 0.00 C ATOM 252 CD1 LEU A 17 5.878 -3.066 -8.781 1.00 0.00 C ATOM 253 CD2 LEU A 17 6.872 -5.346 -8.577 1.00 0.00 C ATOM 0 H LEU A 17 3.263 -4.684 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 17 5.507 -6.450 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.086 -3.466 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.715 -4.110 -6.266 1.00 0.00 H new ATOM 0 HG LEU A 17 4.769 -4.889 -8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.881 -3.160 -9.867 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.053 -2.423 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.820 -2.628 -8.452 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.876 -5.444 -9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.813 -4.904 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.756 -6.331 -8.125 1.00 0.00 H new ATOM 265 N VAL A 18 4.868 -5.334 -3.616 1.00 0.00 N ATOM 266 CA VAL A 18 5.251 -5.404 -2.183 1.00 0.00 C ATOM 267 C VAL A 18 5.250 -6.863 -1.738 1.00 0.00 C ATOM 268 O VAL A 18 6.187 -7.346 -1.134 1.00 0.00 O ATOM 269 CB VAL A 18 4.224 -4.612 -1.371 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.587 -4.646 0.111 1.00 0.00 C ATOM 271 CG2 VAL A 18 4.210 -3.162 -1.859 1.00 0.00 C ATOM 0 H VAL A 18 3.932 -4.967 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 18 6.246 -4.985 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 18 3.239 -5.059 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.849 -4.079 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.598 -5.679 0.459 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.573 -4.204 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.480 -2.592 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.199 -2.724 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.941 -3.136 -2.915 1.00 0.00 H new ATOM 281 N CYS A 19 4.205 -7.566 -2.052 1.00 0.00 N ATOM 282 CA CYS A 19 4.128 -9.004 -1.673 1.00 0.00 C ATOM 283 C CYS A 19 3.707 -9.819 -2.901 1.00 0.00 C ATOM 284 O CYS A 19 4.272 -10.857 -3.181 1.00 0.00 O ATOM 285 CB CYS A 19 3.122 -9.195 -0.525 1.00 0.00 C ATOM 286 SG CYS A 19 1.420 -9.111 -1.144 1.00 0.00 S ATOM 0 H CYS A 19 3.395 -7.208 -2.558 1.00 0.00 H new ATOM 0 HA CYS A 19 5.103 -9.349 -1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.292 -10.158 -0.042 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.277 -8.427 0.233 1.00 0.00 H new ATOM 291 N GLY A 20 2.734 -9.334 -3.638 1.00 0.00 N ATOM 292 CA GLY A 20 2.260 -10.042 -4.870 1.00 0.00 C ATOM 293 C GLY A 20 2.477 -11.553 -4.754 1.00 0.00 C ATOM 294 O GLY A 20 3.202 -12.143 -5.528 1.00 0.00 O ATOM 0 H GLY A 20 2.242 -8.464 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.202 -9.834 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.793 -9.660 -5.741 1.00 0.00 H new ATOM 298 N GLU A 21 1.859 -12.186 -3.796 1.00 0.00 N ATOM 299 CA GLU A 21 2.042 -13.657 -3.645 1.00 0.00 C ATOM 300 C GLU A 21 0.717 -14.295 -3.231 1.00 0.00 C ATOM 301 O GLU A 21 0.193 -15.158 -3.908 1.00 0.00 O ATOM 302 CB GLU A 21 3.098 -13.931 -2.572 1.00 0.00 C ATOM 303 CG GLU A 21 4.386 -14.417 -3.239 1.00 0.00 C ATOM 304 CD GLU A 21 5.430 -14.728 -2.166 1.00 0.00 C ATOM 305 OE1 GLU A 21 5.179 -14.416 -1.013 1.00 0.00 O ATOM 306 OE2 GLU A 21 6.465 -15.273 -2.514 1.00 0.00 O ATOM 0 H GLU A 21 1.238 -11.751 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 21 2.369 -14.083 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.292 -13.025 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.733 -14.681 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.186 -15.307 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.765 -13.655 -3.920 1.00 0.00 H new ATOM 313 N ARG A 22 0.167 -13.875 -2.127 1.00 0.00 N ATOM 314 CA ARG A 22 -1.125 -14.450 -1.669 1.00 0.00 C ATOM 315 C ARG A 22 -2.222 -13.396 -1.831 1.00 0.00 C ATOM 316 O ARG A 22 -3.224 -13.415 -1.142 1.00 0.00 O ATOM 317 CB ARG A 22 -1.011 -14.851 -0.198 1.00 0.00 C ATOM 318 CG ARG A 22 -0.062 -16.043 -0.062 1.00 0.00 C ATOM 319 CD ARG A 22 0.709 -15.934 1.256 1.00 0.00 C ATOM 320 NE ARG A 22 2.031 -15.292 1.007 1.00 0.00 N ATOM 321 CZ ARG A 22 3.018 -15.478 1.842 1.00 0.00 C ATOM 322 NH1 ARG A 22 2.795 -15.479 3.128 1.00 0.00 N ATOM 323 NH2 ARG A 22 4.228 -15.664 1.388 1.00 0.00 N ATOM 0 H ARG A 22 0.559 -13.155 -1.520 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.370 -15.331 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.642 -14.011 0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.994 -15.109 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.626 -16.975 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.633 -16.066 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.138 -15.348 1.976 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.849 -16.924 1.690 1.00 0.00 H new ATOM 0 HE ARG A 22 2.165 -14.706 0.183 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.849 -15.334 3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.566 -15.624 3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.401 -15.664 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.000 -15.809 2.039 1.00 0.00 H new ATOM 337 N GLY A 23 -2.036 -12.475 -2.737 1.00 0.00 N ATOM 338 CA GLY A 23 -3.059 -11.413 -2.949 1.00 0.00 C ATOM 339 C GLY A 23 -3.195 -10.574 -1.679 1.00 0.00 C ATOM 340 O GLY A 23 -3.708 -11.029 -0.677 1.00 0.00 O ATOM 0 H GLY A 23 -1.217 -12.413 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.771 -10.779 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.018 -11.863 -3.204 1.00 0.00 H new ATOM 344 N PHE A 24 -2.737 -9.351 -1.707 1.00 0.00 N ATOM 345 CA PHE A 24 -2.844 -8.496 -0.494 1.00 0.00 C ATOM 346 C PHE A 24 -4.315 -8.361 -0.096 1.00 0.00 C ATOM 347 O PHE A 24 -5.202 -8.791 -0.806 1.00 0.00 O ATOM 348 CB PHE A 24 -2.256 -7.108 -0.779 1.00 0.00 C ATOM 349 CG PHE A 24 -2.607 -6.684 -2.189 1.00 0.00 C ATOM 350 CD1 PHE A 24 -3.868 -6.135 -2.465 1.00 0.00 C ATOM 351 CD2 PHE A 24 -1.671 -6.836 -3.224 1.00 0.00 C ATOM 352 CE1 PHE A 24 -4.193 -5.741 -3.769 1.00 0.00 C ATOM 353 CE2 PHE A 24 -1.997 -6.442 -4.528 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.257 -5.894 -4.801 1.00 0.00 C ATOM 0 H PHE A 24 -2.296 -8.910 -2.514 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.287 -8.957 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.646 -6.384 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.173 -7.129 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.590 -6.016 -1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.699 -7.257 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.165 -5.319 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.276 -6.561 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.507 -5.589 -5.807 1.00 0.00 H new ATOM 364 N PHE A 25 -4.581 -7.766 1.036 1.00 0.00 N ATOM 365 CA PHE A 25 -5.995 -7.604 1.482 1.00 0.00 C ATOM 366 C PHE A 25 -6.627 -6.428 0.741 1.00 0.00 C ATOM 367 O PHE A 25 -7.380 -6.601 -0.197 1.00 0.00 O ATOM 368 CB PHE A 25 -6.028 -7.332 2.987 1.00 0.00 C ATOM 369 CG PHE A 25 -6.715 -8.476 3.690 1.00 0.00 C ATOM 370 CD1 PHE A 25 -7.896 -9.013 3.161 1.00 0.00 C ATOM 371 CD2 PHE A 25 -6.174 -9.001 4.871 1.00 0.00 C ATOM 372 CE1 PHE A 25 -8.537 -10.076 3.813 1.00 0.00 C ATOM 373 CE2 PHE A 25 -6.814 -10.064 5.522 1.00 0.00 C ATOM 374 CZ PHE A 25 -7.995 -10.601 4.993 1.00 0.00 C ATOM 0 H PHE A 25 -3.880 -7.385 1.671 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.552 -8.516 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.014 -7.213 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.555 -6.399 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.313 -8.608 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.264 -8.587 5.279 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.448 -10.490 3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.397 -10.470 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.488 -11.420 5.495 1.00 0.00 H new ATOM 384 N TYR A 26 -6.315 -5.238 1.157 1.00 0.00 N ATOM 385 CA TYR A 26 -6.875 -4.026 0.490 1.00 0.00 C ATOM 386 C TYR A 26 -8.295 -3.752 0.991 1.00 0.00 C ATOM 387 O TYR A 26 -8.883 -2.735 0.680 1.00 0.00 O ATOM 388 CB TYR A 26 -6.901 -4.236 -1.026 1.00 0.00 C ATOM 389 CG TYR A 26 -6.627 -2.921 -1.715 1.00 0.00 C ATOM 390 CD1 TYR A 26 -5.383 -2.298 -1.559 1.00 0.00 C ATOM 391 CD2 TYR A 26 -7.618 -2.324 -2.505 1.00 0.00 C ATOM 392 CE1 TYR A 26 -5.128 -1.075 -2.193 1.00 0.00 C ATOM 393 CE2 TYR A 26 -7.364 -1.101 -3.140 1.00 0.00 C ATOM 394 CZ TYR A 26 -6.119 -0.476 -2.984 1.00 0.00 C ATOM 395 OH TYR A 26 -5.867 0.727 -3.609 1.00 0.00 O ATOM 0 H TYR A 26 -5.689 -5.046 1.939 1.00 0.00 H new ATOM 0 HA TYR A 26 -6.243 -3.171 0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.153 -4.974 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.871 -4.626 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.620 -2.760 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.577 -2.806 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.169 -0.594 -2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.127 -0.640 -3.749 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.678 1.035 -4.066 1.00 0.00 H new ATOM 405 N THR A 27 -8.855 -4.640 1.765 1.00 0.00 N ATOM 406 CA THR A 27 -10.237 -4.405 2.274 1.00 0.00 C ATOM 407 C THR A 27 -10.192 -4.138 3.782 1.00 0.00 C ATOM 408 O THR A 27 -9.148 -3.873 4.342 1.00 0.00 O ATOM 409 CB THR A 27 -11.103 -5.636 1.996 1.00 0.00 C ATOM 410 OG1 THR A 27 -12.458 -5.339 2.305 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.627 -6.804 2.858 1.00 0.00 C ATOM 0 H THR A 27 -8.420 -5.512 2.066 1.00 0.00 H new ATOM 0 HA THR A 27 -10.665 -3.540 1.767 1.00 0.00 H new ATOM 0 HB THR A 27 -11.020 -5.908 0.944 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.014 -6.126 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.245 -7.679 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.588 -7.032 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.708 -6.535 3.911 1.00 0.00 H new ATOM 419 N ASP A 28 -11.319 -4.202 4.439 1.00 0.00 N ATOM 420 CA ASP A 28 -11.352 -3.950 5.909 1.00 0.00 C ATOM 421 C ASP A 28 -11.132 -2.464 6.184 1.00 0.00 C ATOM 422 O ASP A 28 -12.054 -1.735 6.495 1.00 0.00 O ATOM 423 CB ASP A 28 -10.261 -4.774 6.604 1.00 0.00 C ATOM 424 CG ASP A 28 -10.358 -6.231 6.152 1.00 0.00 C ATOM 425 OD1 ASP A 28 -11.366 -6.582 5.561 1.00 0.00 O ATOM 426 OD2 ASP A 28 -9.422 -6.972 6.404 1.00 0.00 O ATOM 0 H ASP A 28 -12.223 -4.419 4.019 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.326 -4.246 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.277 -4.372 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.375 -4.709 7.686 1.00 0.00 H new ATOM 431 N LYS A 29 -9.919 -2.009 6.073 1.00 0.00 N ATOM 432 CA LYS A 29 -9.634 -0.569 6.329 1.00 0.00 C ATOM 433 C LYS A 29 -10.128 0.270 5.147 1.00 0.00 C ATOM 434 O LYS A 29 -10.764 -0.232 4.242 1.00 0.00 O ATOM 435 CB LYS A 29 -8.126 -0.367 6.504 1.00 0.00 C ATOM 436 CG LYS A 29 -7.874 0.616 7.649 1.00 0.00 C ATOM 437 CD LYS A 29 -6.793 0.058 8.577 1.00 0.00 C ATOM 438 CE LYS A 29 -7.430 -0.373 9.901 1.00 0.00 C ATOM 439 NZ LYS A 29 -6.655 0.202 11.037 1.00 0.00 N ATOM 0 H LYS A 29 -9.108 -2.572 5.815 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.149 -0.255 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.642 -1.321 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.689 0.014 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.562 1.582 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.795 0.784 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.297 -0.791 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.028 0.813 8.758 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.465 -0.035 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.446 -1.461 9.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.088 -0.091 11.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.674 -0.141 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.662 1.240 10.972 1.00 0.00 H new ATOM 453 N GLY A 30 -9.842 1.542 5.151 1.00 0.00 N ATOM 454 CA GLY A 30 -10.299 2.409 4.028 1.00 0.00 C ATOM 455 C GLY A 30 -9.118 3.221 3.491 1.00 0.00 C ATOM 456 O GLY A 30 -9.253 4.379 3.150 1.00 0.00 O ATOM 0 H GLY A 30 -9.313 2.018 5.881 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.724 1.797 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.088 3.079 4.370 1.00 0.00 H new ATOM 460 N ILE A 31 -7.959 2.625 3.416 1.00 0.00 N ATOM 461 CA ILE A 31 -6.774 3.370 2.902 1.00 0.00 C ATOM 462 C ILE A 31 -7.002 3.754 1.438 1.00 0.00 C ATOM 463 O ILE A 31 -8.095 3.630 0.925 1.00 0.00 O ATOM 464 CB ILE A 31 -5.528 2.493 3.011 1.00 0.00 C ATOM 465 CG1 ILE A 31 -5.650 1.310 2.050 1.00 0.00 C ATOM 466 CG2 ILE A 31 -5.390 1.975 4.443 1.00 0.00 C ATOM 467 CD1 ILE A 31 -4.440 0.389 2.218 1.00 0.00 C ATOM 0 H ILE A 31 -7.782 1.658 3.687 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.633 4.273 3.495 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.648 3.082 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.570 0.760 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.708 1.667 1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.501 1.349 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.301 2.818 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.270 1.388 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.527 -0.454 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.528 0.943 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.402 0.021 3.243 1.00 0.00 H new ATOM 479 N VAL A 32 -5.973 4.234 0.781 1.00 0.00 N ATOM 480 CA VAL A 32 -6.085 4.658 -0.648 1.00 0.00 C ATOM 481 C VAL A 32 -6.428 6.148 -0.681 1.00 0.00 C ATOM 482 O VAL A 32 -6.184 6.834 -1.653 1.00 0.00 O ATOM 483 CB VAL A 32 -7.152 3.823 -1.385 1.00 0.00 C ATOM 484 CG1 VAL A 32 -8.496 4.565 -1.436 1.00 0.00 C ATOM 485 CG2 VAL A 32 -6.678 3.552 -2.813 1.00 0.00 C ATOM 0 H VAL A 32 -5.043 4.351 1.184 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.138 4.490 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.292 2.887 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.230 3.953 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.844 4.758 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.369 5.511 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.428 2.962 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.530 4.498 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.737 3.002 -2.786 1.00 0.00 H new ATOM 495 N GLU A 33 -6.979 6.650 0.387 1.00 0.00 N ATOM 496 CA GLU A 33 -7.326 8.092 0.439 1.00 0.00 C ATOM 497 C GLU A 33 -6.219 8.837 1.185 1.00 0.00 C ATOM 498 O GLU A 33 -6.124 10.047 1.134 1.00 0.00 O ATOM 499 CB GLU A 33 -8.652 8.269 1.181 1.00 0.00 C ATOM 500 CG GLU A 33 -9.611 9.106 0.332 1.00 0.00 C ATOM 501 CD GLU A 33 -11.026 8.539 0.457 1.00 0.00 C ATOM 502 OE1 GLU A 33 -11.385 8.128 1.548 1.00 0.00 O ATOM 503 OE2 GLU A 33 -11.729 8.527 -0.541 1.00 0.00 O ATOM 0 H GLU A 33 -7.204 6.120 1.229 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.424 8.489 -0.571 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.094 7.295 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.480 8.757 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.593 10.145 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.294 9.096 -0.711 1.00 0.00 H new ATOM 510 N GLN A 34 -5.379 8.117 1.876 1.00 0.00 N ATOM 511 CA GLN A 34 -4.273 8.774 2.625 1.00 0.00 C ATOM 512 C GLN A 34 -2.929 8.295 2.073 1.00 0.00 C ATOM 513 O GLN A 34 -1.883 8.608 2.607 1.00 0.00 O ATOM 514 CB GLN A 34 -4.374 8.422 4.113 1.00 0.00 C ATOM 515 CG GLN A 34 -4.331 6.901 4.292 1.00 0.00 C ATOM 516 CD GLN A 34 -5.019 6.523 5.605 1.00 0.00 C ATOM 517 OE1 GLN A 34 -6.165 6.119 5.608 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.365 6.638 6.727 1.00 0.00 N ATOM 0 H GLN A 34 -5.411 7.100 1.954 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.349 9.855 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.554 8.885 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.300 8.820 4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.828 6.411 3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.298 6.554 4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.403 6.977 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.815 6.389 7.608 1.00 0.00 H new ATOM 527 N CYS A 35 -2.944 7.540 1.006 1.00 0.00 N ATOM 528 CA CYS A 35 -1.661 7.049 0.428 1.00 0.00 C ATOM 529 C CYS A 35 -1.452 7.668 -0.955 1.00 0.00 C ATOM 530 O CYS A 35 -0.581 7.264 -1.700 1.00 0.00 O ATOM 531 CB CYS A 35 -1.707 5.526 0.300 1.00 0.00 C ATOM 532 SG CYS A 35 -0.223 4.819 1.053 1.00 0.00 S ATOM 0 H CYS A 35 -3.786 7.244 0.512 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.838 7.335 1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.599 5.135 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.768 5.239 -0.750 1.00 0.00 H new ATOM 537 N CYS A 36 -2.241 8.645 -1.304 1.00 0.00 N ATOM 538 CA CYS A 36 -2.083 9.285 -2.640 1.00 0.00 C ATOM 539 C CYS A 36 -1.811 10.782 -2.460 1.00 0.00 C ATOM 540 O CYS A 36 -1.420 11.466 -3.385 1.00 0.00 O ATOM 541 CB CYS A 36 -3.361 9.089 -3.457 1.00 0.00 C ATOM 542 SG CYS A 36 -3.134 9.794 -5.110 1.00 0.00 S ATOM 0 H CYS A 36 -2.987 9.028 -0.723 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.246 8.826 -3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.598 8.028 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.202 9.569 -2.957 1.00 0.00 H new ATOM 547 N THR A 37 -2.013 11.295 -1.276 1.00 0.00 N ATOM 548 CA THR A 37 -1.761 12.748 -1.043 1.00 0.00 C ATOM 549 C THR A 37 -0.398 12.921 -0.367 1.00 0.00 C ATOM 550 O THR A 37 0.331 13.851 -0.648 1.00 0.00 O ATOM 551 CB THR A 37 -2.860 13.347 -0.144 1.00 0.00 C ATOM 552 OG1 THR A 37 -2.329 13.606 1.149 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.038 12.377 -0.022 1.00 0.00 C ATOM 0 H THR A 37 -2.340 10.774 -0.463 1.00 0.00 H new ATOM 0 HA THR A 37 -1.770 13.268 -2.001 1.00 0.00 H new ATOM 0 HB THR A 37 -3.211 14.276 -0.593 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.028 13.988 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.805 12.815 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.455 12.184 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.694 11.440 0.416 1.00 0.00 H new ATOM 561 N SER A 38 -0.051 12.033 0.525 1.00 0.00 N ATOM 562 CA SER A 38 1.261 12.148 1.220 1.00 0.00 C ATOM 563 C SER A 38 2.196 11.038 0.738 1.00 0.00 C ATOM 564 O SER A 38 1.870 10.284 -0.158 1.00 0.00 O ATOM 565 CB SER A 38 1.048 12.015 2.730 1.00 0.00 C ATOM 566 OG SER A 38 0.015 12.903 3.138 1.00 0.00 O ATOM 0 H SER A 38 -0.620 11.233 0.802 1.00 0.00 H new ATOM 0 HA SER A 38 1.706 13.118 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.782 10.989 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.972 12.245 3.261 1.00 0.00 H new ATOM 0 HG SER A 38 -0.126 12.819 4.104 1.00 0.00 H new ATOM 572 N ILE A 39 3.356 10.929 1.326 1.00 0.00 N ATOM 573 CA ILE A 39 4.312 9.866 0.903 1.00 0.00 C ATOM 574 C ILE A 39 4.113 8.625 1.776 1.00 0.00 C ATOM 575 O ILE A 39 4.408 8.626 2.954 1.00 0.00 O ATOM 576 CB ILE A 39 5.744 10.383 1.054 1.00 0.00 C ATOM 577 CG1 ILE A 39 5.888 11.707 0.295 1.00 0.00 C ATOM 578 CG2 ILE A 39 6.721 9.359 0.475 1.00 0.00 C ATOM 579 CD1 ILE A 39 5.269 11.571 -1.098 1.00 0.00 C ATOM 0 H ILE A 39 3.683 11.531 2.082 1.00 0.00 H new ATOM 0 HA ILE A 39 4.132 9.603 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 39 5.965 10.539 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.396 12.509 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.941 11.977 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.741 9.728 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.618 8.415 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.501 9.203 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.373 12.513 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.781 10.781 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.212 11.321 -1.004 1.00 0.00 H new ATOM 591 N CYS A 40 3.601 7.568 1.204 1.00 0.00 N ATOM 592 CA CYS A 40 3.366 6.326 1.992 1.00 0.00 C ATOM 593 C CYS A 40 4.683 5.810 2.575 1.00 0.00 C ATOM 594 O CYS A 40 5.674 6.511 2.632 1.00 0.00 O ATOM 595 CB CYS A 40 2.767 5.256 1.079 1.00 0.00 C ATOM 596 SG CYS A 40 1.286 5.910 0.273 1.00 0.00 S ATOM 0 H CYS A 40 3.335 7.512 0.221 1.00 0.00 H new ATOM 0 HA CYS A 40 2.679 6.549 2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.498 4.952 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.516 4.367 1.658 1.00 0.00 H new ATOM 601 N SER A 41 4.691 4.578 3.001 1.00 0.00 N ATOM 602 CA SER A 41 5.916 3.976 3.577 1.00 0.00 C ATOM 603 C SER A 41 5.748 2.459 3.540 1.00 0.00 C ATOM 604 O SER A 41 5.051 1.888 4.353 1.00 0.00 O ATOM 605 CB SER A 41 6.102 4.447 5.022 1.00 0.00 C ATOM 606 OG SER A 41 7.425 4.943 5.187 1.00 0.00 O ATOM 0 H SER A 41 3.884 3.955 2.972 1.00 0.00 H new ATOM 0 HA SER A 41 6.794 4.277 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.377 5.226 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.922 3.622 5.712 1.00 0.00 H new ATOM 0 HG SER A 41 7.548 5.247 6.111 1.00 0.00 H new ATOM 612 N LEU A 42 6.352 1.822 2.572 1.00 0.00 N ATOM 613 CA LEU A 42 6.229 0.334 2.416 1.00 0.00 C ATOM 614 C LEU A 42 6.055 -0.352 3.776 1.00 0.00 C ATOM 615 O LEU A 42 5.404 -1.370 3.880 1.00 0.00 O ATOM 616 CB LEU A 42 7.470 -0.241 1.715 1.00 0.00 C ATOM 617 CG LEU A 42 8.681 0.678 1.905 1.00 0.00 C ATOM 618 CD1 LEU A 42 9.010 0.807 3.392 1.00 0.00 C ATOM 619 CD2 LEU A 42 9.884 0.074 1.176 1.00 0.00 C ATOM 0 H LEU A 42 6.936 2.274 1.869 1.00 0.00 H new ATOM 0 HA LEU A 42 5.346 0.141 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.693 -1.230 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.267 -0.366 0.651 1.00 0.00 H new ATOM 0 HG LEU A 42 8.453 1.664 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.872 1.462 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.154 1.228 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.239 -0.177 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.751 0.722 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.102 -0.911 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.657 -0.019 0.114 1.00 0.00 H new ATOM 631 N TYR A 43 6.615 0.187 4.819 1.00 0.00 N ATOM 632 CA TYR A 43 6.447 -0.455 6.148 1.00 0.00 C ATOM 633 C TYR A 43 4.950 -0.641 6.424 1.00 0.00 C ATOM 634 O TYR A 43 4.464 -1.749 6.543 1.00 0.00 O ATOM 635 CB TYR A 43 7.076 0.439 7.224 1.00 0.00 C ATOM 636 CG TYR A 43 6.534 0.070 8.585 1.00 0.00 C ATOM 637 CD1 TYR A 43 7.000 -1.077 9.240 1.00 0.00 C ATOM 638 CD2 TYR A 43 5.567 0.881 9.193 1.00 0.00 C ATOM 639 CE1 TYR A 43 6.496 -1.416 10.503 1.00 0.00 C ATOM 640 CE2 TYR A 43 5.065 0.544 10.456 1.00 0.00 C ATOM 641 CZ TYR A 43 5.529 -0.604 11.111 1.00 0.00 C ATOM 642 OH TYR A 43 5.037 -0.935 12.356 1.00 0.00 O ATOM 0 H TYR A 43 7.178 1.038 4.810 1.00 0.00 H new ATOM 0 HA TYR A 43 6.940 -1.427 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.160 0.327 7.213 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.861 1.486 7.010 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.748 -1.700 8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.209 1.766 8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.852 -2.302 11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.320 1.169 10.925 1.00 0.00 H new ATOM 0 HH TYR A 43 4.375 -0.268 12.634 1.00 0.00 H new ATOM 652 N GLN A 44 4.212 0.434 6.520 1.00 0.00 N ATOM 653 CA GLN A 44 2.749 0.316 6.788 1.00 0.00 C ATOM 654 C GLN A 44 2.065 -0.405 5.625 1.00 0.00 C ATOM 655 O GLN A 44 1.235 -1.270 5.821 1.00 0.00 O ATOM 656 CB GLN A 44 2.145 1.715 6.946 1.00 0.00 C ATOM 657 CG GLN A 44 1.465 1.823 8.313 1.00 0.00 C ATOM 658 CD GLN A 44 1.739 3.203 8.914 1.00 0.00 C ATOM 659 OE1 GLN A 44 2.777 3.424 9.506 1.00 0.00 O ATOM 660 NE2 GLN A 44 0.846 4.145 8.790 1.00 0.00 N ATOM 0 H GLN A 44 4.560 1.388 6.424 1.00 0.00 H new ATOM 0 HA GLN A 44 2.597 -0.254 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.924 2.472 6.854 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.422 1.903 6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.391 1.667 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.838 1.045 8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.025 3.960 8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.019 5.067 9.190 1.00 0.00 H new ATOM 669 N LEU A 45 2.404 -0.055 4.416 1.00 0.00 N ATOM 670 CA LEU A 45 1.771 -0.719 3.242 1.00 0.00 C ATOM 671 C LEU A 45 2.123 -2.209 3.251 1.00 0.00 C ATOM 672 O LEU A 45 1.322 -3.050 2.891 1.00 0.00 O ATOM 673 CB LEU A 45 2.297 -0.074 1.956 1.00 0.00 C ATOM 674 CG LEU A 45 1.591 -0.683 0.746 1.00 0.00 C ATOM 675 CD1 LEU A 45 1.244 0.425 -0.251 1.00 0.00 C ATOM 676 CD2 LEU A 45 2.521 -1.698 0.078 1.00 0.00 C ATOM 0 H LEU A 45 3.093 0.663 4.190 1.00 0.00 H new ATOM 0 HA LEU A 45 0.688 -0.604 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.129 1.003 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.373 -0.227 1.876 1.00 0.00 H new ATOM 0 HG LEU A 45 0.676 -1.181 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.740 -0.008 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.586 1.151 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.158 0.922 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.021 -2.135 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.434 -1.197 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.771 -2.485 0.789 1.00 0.00 H new ATOM 688 N GLU A 46 3.315 -2.540 3.666 1.00 0.00 N ATOM 689 CA GLU A 46 3.725 -3.971 3.706 1.00 0.00 C ATOM 690 C GLU A 46 2.869 -4.715 4.731 1.00 0.00 C ATOM 691 O GLU A 46 2.873 -5.927 4.794 1.00 0.00 O ATOM 692 CB GLU A 46 5.198 -4.068 4.111 1.00 0.00 C ATOM 693 CG GLU A 46 6.085 -3.951 2.869 1.00 0.00 C ATOM 694 CD GLU A 46 6.599 -5.337 2.477 1.00 0.00 C ATOM 695 OE1 GLU A 46 5.778 -6.192 2.187 1.00 0.00 O ATOM 696 OE2 GLU A 46 7.806 -5.521 2.469 1.00 0.00 O ATOM 0 H GLU A 46 4.025 -1.878 3.980 1.00 0.00 H new ATOM 0 HA GLU A 46 3.587 -4.417 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.443 -3.277 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.385 -5.016 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.520 -3.515 2.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.923 -3.284 3.069 1.00 0.00 H new ATOM 703 N ASN A 47 2.135 -3.997 5.538 1.00 0.00 N ATOM 704 CA ASN A 47 1.284 -4.664 6.561 1.00 0.00 C ATOM 705 C ASN A 47 -0.168 -4.697 6.080 1.00 0.00 C ATOM 706 O ASN A 47 -1.091 -4.513 6.850 1.00 0.00 O ATOM 707 CB ASN A 47 1.375 -3.897 7.883 1.00 0.00 C ATOM 708 CG ASN A 47 1.835 -4.849 8.988 1.00 0.00 C ATOM 709 OD1 ASN A 47 1.026 -5.474 9.642 1.00 0.00 O ATOM 710 ND2 ASN A 47 3.111 -4.986 9.226 1.00 0.00 N ATOM 0 H ASN A 47 2.089 -2.978 5.532 1.00 0.00 H new ATOM 0 HA ASN A 47 1.634 -5.685 6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.075 -3.067 7.788 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.405 -3.469 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.428 -5.618 9.961 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.791 -4.461 8.677 1.00 0.00 H new ATOM 717 N TYR A 48 -0.380 -4.940 4.816 1.00 0.00 N ATOM 718 CA TYR A 48 -1.769 -4.999 4.288 1.00 0.00 C ATOM 719 C TYR A 48 -1.879 -6.187 3.334 1.00 0.00 C ATOM 720 O TYR A 48 -2.822 -6.306 2.575 1.00 0.00 O ATOM 721 CB TYR A 48 -2.090 -3.705 3.537 1.00 0.00 C ATOM 722 CG TYR A 48 -2.042 -2.540 4.498 1.00 0.00 C ATOM 723 CD1 TYR A 48 -2.557 -2.678 5.795 1.00 0.00 C ATOM 724 CD2 TYR A 48 -1.485 -1.320 4.093 1.00 0.00 C ATOM 725 CE1 TYR A 48 -2.513 -1.598 6.685 1.00 0.00 C ATOM 726 CE2 TYR A 48 -1.442 -0.239 4.983 1.00 0.00 C ATOM 727 CZ TYR A 48 -1.956 -0.377 6.279 1.00 0.00 C ATOM 728 OH TYR A 48 -1.913 0.687 7.157 1.00 0.00 O ATOM 0 H TYR A 48 0.353 -5.101 4.125 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.475 -5.115 5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.374 -3.554 2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.077 -3.773 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.988 -3.618 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.089 -1.213 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.908 -1.705 7.684 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.012 0.701 4.670 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.495 1.457 6.718 1.00 0.00 H new ATOM 738 N CYS A 49 -0.917 -7.069 3.367 1.00 0.00 N ATOM 739 CA CYS A 49 -0.953 -8.251 2.465 1.00 0.00 C ATOM 740 C CYS A 49 -0.780 -9.525 3.293 1.00 0.00 C ATOM 741 O CYS A 49 -0.271 -9.497 4.396 1.00 0.00 O ATOM 742 CB CYS A 49 0.179 -8.134 1.439 1.00 0.00 C ATOM 743 SG CYS A 49 0.277 -9.642 0.440 1.00 0.00 S ATOM 0 H CYS A 49 -0.105 -7.020 3.983 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.909 -8.292 1.943 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.007 -7.272 0.794 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.127 -7.966 1.950 1.00 0.00 H new ATOM 748 N ASN A 50 -1.203 -10.643 2.774 1.00 0.00 N ATOM 749 CA ASN A 50 -1.067 -11.917 3.535 1.00 0.00 C ATOM 750 C ASN A 50 0.415 -12.210 3.780 1.00 0.00 C ATOM 751 O ASN A 50 1.235 -11.623 3.094 1.00 0.00 O ATOM 752 CB ASN A 50 -1.686 -13.060 2.731 1.00 0.00 C ATOM 753 CG ASN A 50 -3.211 -12.974 2.806 1.00 0.00 C ATOM 754 OD1 ASN A 50 -3.801 -13.298 3.817 1.00 0.00 O ATOM 755 ND2 ASN A 50 -3.880 -12.547 1.769 1.00 0.00 N ATOM 756 OXT ASN A 50 0.703 -13.018 4.647 1.00 0.00 O ATOM 0 H ASN A 50 -1.637 -10.730 1.855 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.582 -11.825 4.491 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.359 -13.006 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.346 -14.019 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.897 -12.486 1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.385 -12.275 0.920 1.00 0.00 H new TER 763 ASN A 50