USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 368 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 5 GLN : amide:sc= -0.206 X(o=-2.5,f=-2.6) USER MOD Set 1.2: A 15 GLN : amide:sc= -2.33 K(o=-2.5,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.198 USER MOD Single : A 9 SER OG : rot -39:sc= 0.0513! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 154:sc= 0.477 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : B 1 PHE N :NH3+ -119:sc= 0.824 (180deg=0.3) USER MOD Single : B 3 ASN : amide:sc= -0.991 X(o=-0.99,f=-0.94) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -3.36! C(o=-3.4!,f=-4.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0317 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -1.91! USER MOD Single : B 27 THR OG1 : rot 180:sc= -1.2 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.121 5.179 5.753 1.00 0.00 N ATOM 2 CA GLY A 1 -6.997 5.848 4.962 1.00 0.00 C ATOM 3 C GLY A 1 -6.523 5.215 3.700 1.00 0.00 C ATOM 4 O GLY A 1 -5.340 5.040 3.487 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.332 5.743 6.601 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.973 5.115 5.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.824 4.224 6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.323 6.860 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.138 5.940 5.626 1.00 0.00 H new ATOM 10 N ILE A 2 -7.429 4.851 2.835 1.00 0.00 N ATOM 11 CA ILE A 2 -7.025 4.206 1.555 1.00 0.00 C ATOM 12 C ILE A 2 -6.674 5.277 0.520 1.00 0.00 C ATOM 13 O ILE A 2 -5.567 5.774 0.479 1.00 0.00 O ATOM 14 CB ILE A 2 -8.174 3.342 1.036 1.00 0.00 C ATOM 15 CG1 ILE A 2 -8.453 2.210 2.030 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.789 2.749 -0.320 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.187 1.378 2.236 1.00 0.00 C ATOM 0 H ILE A 2 -8.434 4.973 2.960 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.150 3.580 1.728 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.069 3.954 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.786 2.623 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.259 1.577 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.607 2.132 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.591 3.555 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.894 2.137 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.391 0.574 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.873 0.952 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.393 2.014 2.628 1.00 0.00 H new ATOM 29 N VAL A 3 -7.607 5.639 -0.316 1.00 0.00 N ATOM 30 CA VAL A 3 -7.327 6.676 -1.346 1.00 0.00 C ATOM 31 C VAL A 3 -6.876 7.954 -0.651 1.00 0.00 C ATOM 32 O VAL A 3 -5.910 8.583 -1.033 1.00 0.00 O ATOM 33 CB VAL A 3 -8.610 6.927 -2.159 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.729 8.401 -2.569 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.573 6.068 -3.418 1.00 0.00 C ATOM 0 H VAL A 3 -8.554 5.260 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.538 6.344 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.468 6.670 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.645 8.547 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.756 9.026 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.871 8.679 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.478 6.238 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.701 6.335 -4.015 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.514 5.016 -3.139 1.00 0.00 H new ATOM 45 N GLU A 4 -7.583 8.341 0.360 1.00 0.00 N ATOM 46 CA GLU A 4 -7.218 9.582 1.089 1.00 0.00 C ATOM 47 C GLU A 4 -5.755 9.508 1.523 1.00 0.00 C ATOM 48 O GLU A 4 -5.095 10.513 1.697 1.00 0.00 O ATOM 49 CB GLU A 4 -8.111 9.731 2.323 1.00 0.00 C ATOM 50 CG GLU A 4 -7.736 8.662 3.353 1.00 0.00 C ATOM 51 CD GLU A 4 -8.942 8.365 4.245 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.888 7.775 3.752 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.898 8.732 5.408 1.00 0.00 O ATOM 0 H GLU A 4 -8.403 7.852 0.718 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.358 10.442 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.992 10.725 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.159 9.629 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.412 7.752 2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.898 9.005 3.960 1.00 0.00 H new ATOM 60 N GLN A 5 -5.247 8.323 1.708 1.00 0.00 N ATOM 61 CA GLN A 5 -3.828 8.179 2.141 1.00 0.00 C ATOM 62 C GLN A 5 -2.963 7.702 0.973 1.00 0.00 C ATOM 63 O GLN A 5 -1.772 7.939 0.934 1.00 0.00 O ATOM 64 CB GLN A 5 -3.748 7.161 3.280 1.00 0.00 C ATOM 65 CG GLN A 5 -2.601 7.532 4.220 1.00 0.00 C ATOM 66 CD GLN A 5 -2.269 6.337 5.118 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.155 6.203 5.582 1.00 0.00 O ATOM 68 NE2 GLN A 5 -3.196 5.455 5.381 1.00 0.00 N ATOM 0 H GLN A 5 -5.752 7.447 1.578 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.461 9.147 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.689 7.140 3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.592 6.160 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.723 7.822 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.880 8.392 4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.132 5.567 4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.984 4.654 5.976 1.00 0.00 H new ATOM 77 N CYS A 6 -3.544 7.019 0.030 1.00 0.00 N ATOM 78 CA CYS A 6 -2.744 6.513 -1.121 1.00 0.00 C ATOM 79 C CYS A 6 -2.917 7.426 -2.334 1.00 0.00 C ATOM 80 O CYS A 6 -1.989 7.652 -3.082 1.00 0.00 O ATOM 81 CB CYS A 6 -3.193 5.096 -1.468 1.00 0.00 C ATOM 82 SG CYS A 6 -2.828 3.978 -0.083 1.00 0.00 S ATOM 0 H CYS A 6 -4.537 6.788 0.004 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.690 6.503 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.261 5.086 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.683 4.753 -2.368 1.00 0.00 H new ATOM 87 N CYS A 7 -4.076 7.966 -2.546 1.00 0.00 N ATOM 88 CA CYS A 7 -4.232 8.864 -3.719 1.00 0.00 C ATOM 89 C CYS A 7 -3.702 10.249 -3.353 1.00 0.00 C ATOM 90 O CYS A 7 -2.715 10.710 -3.891 1.00 0.00 O ATOM 91 CB CYS A 7 -5.704 8.971 -4.114 1.00 0.00 C ATOM 92 SG CYS A 7 -5.849 9.649 -5.791 1.00 0.00 S ATOM 0 H CYS A 7 -4.909 7.831 -1.973 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.673 8.457 -4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.174 7.988 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.233 9.610 -3.407 1.00 0.00 H new ATOM 97 N THR A 8 -4.344 10.912 -2.429 1.00 0.00 N ATOM 98 CA THR A 8 -3.869 12.262 -2.019 1.00 0.00 C ATOM 99 C THR A 8 -2.376 12.187 -1.723 1.00 0.00 C ATOM 100 O THR A 8 -1.661 13.167 -1.804 1.00 0.00 O ATOM 101 CB THR A 8 -4.617 12.704 -0.760 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.766 11.890 -0.584 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.041 14.167 -0.903 1.00 0.00 C ATOM 0 H THR A 8 -5.175 10.577 -1.942 1.00 0.00 H new ATOM 0 HA THR A 8 -4.054 12.980 -2.818 1.00 0.00 H new ATOM 0 HB THR A 8 -3.963 12.602 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.403 12.346 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.574 14.481 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.157 14.791 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.695 14.273 -1.769 1.00 0.00 H new ATOM 111 N SER A 9 -1.904 11.023 -1.384 1.00 0.00 N ATOM 112 CA SER A 9 -0.455 10.860 -1.084 1.00 0.00 C ATOM 113 C SER A 9 -0.065 9.393 -1.264 1.00 0.00 C ATOM 114 O SER A 9 -0.895 8.511 -1.254 1.00 0.00 O ATOM 115 CB SER A 9 -0.172 11.297 0.354 1.00 0.00 C ATOM 116 OG SER A 9 -0.946 12.452 0.655 1.00 0.00 O ATOM 0 H SER A 9 -2.461 10.173 -1.301 1.00 0.00 H new ATOM 0 HA SER A 9 0.130 11.479 -1.765 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.416 10.491 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.889 11.513 0.478 1.00 0.00 H new ATOM 0 HG SER A 9 -0.967 13.044 -0.125 1.00 0.00 H new ATOM 122 N ILE A 10 1.194 9.137 -1.439 1.00 0.00 N ATOM 123 CA ILE A 10 1.661 7.742 -1.647 1.00 0.00 C ATOM 124 C ILE A 10 1.705 6.995 -0.314 1.00 0.00 C ATOM 125 O ILE A 10 2.166 7.504 0.688 1.00 0.00 O ATOM 126 CB ILE A 10 3.061 7.752 -2.275 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.938 8.870 -1.644 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.926 7.930 -3.790 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.741 10.238 -2.329 1.00 0.00 C ATOM 0 H ILE A 10 1.931 9.842 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 10 0.965 7.235 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 10 3.560 6.804 -2.076 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.697 8.961 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.988 8.583 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.916 7.938 -4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.344 7.106 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.421 8.873 -4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.377 10.981 -1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.008 10.159 -3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.698 10.542 -2.241 1.00 0.00 H new ATOM 141 N CYS A 11 1.220 5.781 -0.302 1.00 0.00 N ATOM 142 CA CYS A 11 1.220 4.982 0.957 1.00 0.00 C ATOM 143 C CYS A 11 2.499 4.146 1.036 1.00 0.00 C ATOM 144 O CYS A 11 3.407 4.295 0.242 1.00 0.00 O ATOM 145 CB CYS A 11 0.014 4.034 0.967 1.00 0.00 C ATOM 146 SG CYS A 11 -1.521 4.985 1.091 1.00 0.00 S ATOM 0 H CYS A 11 0.823 5.308 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 11 1.166 5.662 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.006 3.433 0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.092 3.342 1.806 1.00 0.00 H new ATOM 151 N SER A 12 2.567 3.256 1.988 1.00 0.00 N ATOM 152 CA SER A 12 3.772 2.390 2.125 1.00 0.00 C ATOM 153 C SER A 12 3.464 1.017 1.535 1.00 0.00 C ATOM 154 O SER A 12 2.371 0.504 1.675 1.00 0.00 O ATOM 155 CB SER A 12 4.129 2.242 3.605 1.00 0.00 C ATOM 156 OG SER A 12 5.424 2.781 3.833 1.00 0.00 O ATOM 0 H SER A 12 1.836 3.091 2.680 1.00 0.00 H new ATOM 0 HA SER A 12 4.613 2.839 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.394 2.759 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.104 1.191 3.893 1.00 0.00 H new ATOM 0 HG SER A 12 5.654 2.689 4.781 1.00 0.00 H new ATOM 162 N LEU A 13 4.410 0.415 0.869 1.00 0.00 N ATOM 163 CA LEU A 13 4.148 -0.920 0.270 1.00 0.00 C ATOM 164 C LEU A 13 3.756 -1.901 1.374 1.00 0.00 C ATOM 165 O LEU A 13 3.185 -2.939 1.116 1.00 0.00 O ATOM 166 CB LEU A 13 5.399 -1.401 -0.504 1.00 0.00 C ATOM 167 CG LEU A 13 6.260 -2.389 0.306 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.514 -1.851 1.715 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.557 -3.750 0.388 1.00 0.00 C ATOM 0 H LEU A 13 5.347 0.788 0.715 1.00 0.00 H new ATOM 0 HA LEU A 13 3.323 -0.858 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.085 -1.877 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.005 -0.538 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 13 7.218 -2.508 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.124 -2.563 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.037 -0.897 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.562 -1.710 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.172 -4.443 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.590 -3.631 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.409 -4.144 -0.617 1.00 0.00 H new ATOM 181 N TYR A 14 4.054 -1.581 2.602 1.00 0.00 N ATOM 182 CA TYR A 14 3.694 -2.499 3.712 1.00 0.00 C ATOM 183 C TYR A 14 2.206 -2.379 3.997 1.00 0.00 C ATOM 184 O TYR A 14 1.479 -3.353 3.994 1.00 0.00 O ATOM 185 CB TYR A 14 4.488 -2.135 4.965 1.00 0.00 C ATOM 186 CG TYR A 14 4.789 -3.392 5.740 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.732 -4.305 5.251 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.121 -3.651 6.944 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.008 -5.477 5.966 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.396 -4.824 7.659 1.00 0.00 C ATOM 191 CZ TYR A 14 5.340 -5.737 7.169 1.00 0.00 C ATOM 192 OH TYR A 14 5.611 -6.892 7.872 1.00 0.00 O ATOM 0 H TYR A 14 4.531 -0.724 2.883 1.00 0.00 H new ATOM 0 HA TYR A 14 3.931 -3.524 3.427 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.415 -1.632 4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.919 -1.440 5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.246 -4.105 4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.394 -2.947 7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.736 -6.180 5.590 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.881 -5.025 8.587 1.00 0.00 H new ATOM 0 HH TYR A 14 5.063 -6.917 8.684 1.00 0.00 H new ATOM 202 N GLN A 15 1.743 -1.191 4.236 1.00 0.00 N ATOM 203 CA GLN A 15 0.295 -1.012 4.511 1.00 0.00 C ATOM 204 C GLN A 15 -0.491 -1.362 3.253 1.00 0.00 C ATOM 205 O GLN A 15 -1.559 -1.938 3.319 1.00 0.00 O ATOM 206 CB GLN A 15 0.002 0.431 4.933 1.00 0.00 C ATOM 207 CG GLN A 15 0.727 1.408 4.007 1.00 0.00 C ATOM 208 CD GLN A 15 0.243 2.829 4.299 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.030 3.697 4.624 1.00 0.00 O ATOM 210 NE2 GLN A 15 -1.028 3.105 4.197 1.00 0.00 N ATOM 0 H GLN A 15 2.301 -0.337 4.253 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.003 -1.670 5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.072 0.616 4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.322 0.589 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.804 1.340 4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.534 1.152 2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.688 2.376 3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.362 4.049 4.390 1.00 0.00 H new ATOM 219 N LEU A 16 0.032 -1.041 2.101 1.00 0.00 N ATOM 220 CA LEU A 16 -0.701 -1.390 0.851 1.00 0.00 C ATOM 221 C LEU A 16 -0.569 -2.892 0.624 1.00 0.00 C ATOM 222 O LEU A 16 -1.459 -3.533 0.103 1.00 0.00 O ATOM 223 CB LEU A 16 -0.159 -0.577 -0.354 1.00 0.00 C ATOM 224 CG LEU A 16 0.902 -1.348 -1.170 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.289 -2.556 -1.875 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.462 -0.424 -2.251 1.00 0.00 C ATOM 0 H LEU A 16 0.922 -0.559 1.971 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.755 -1.132 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.989 -0.309 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.275 0.355 0.008 1.00 0.00 H new ATOM 0 HG LEU A 16 1.678 -1.684 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.061 -3.078 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.137 -3.232 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.495 -2.222 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.212 -0.958 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.654 -0.102 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.919 0.448 -1.783 1.00 0.00 H new ATOM 238 N GLU A 17 0.536 -3.460 1.015 1.00 0.00 N ATOM 239 CA GLU A 17 0.717 -4.925 0.821 1.00 0.00 C ATOM 240 C GLU A 17 -0.451 -5.645 1.480 1.00 0.00 C ATOM 241 O GLU A 17 -0.916 -6.665 1.009 1.00 0.00 O ATOM 242 CB GLU A 17 2.038 -5.377 1.448 1.00 0.00 C ATOM 243 CG GLU A 17 2.126 -6.903 1.420 1.00 0.00 C ATOM 244 CD GLU A 17 1.602 -7.474 2.738 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.826 -6.795 3.390 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.984 -8.583 3.074 1.00 0.00 O ATOM 0 H GLU A 17 1.318 -2.977 1.458 1.00 0.00 H new ATOM 0 HA GLU A 17 0.745 -5.161 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.877 -4.945 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.106 -5.018 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.544 -7.295 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.159 -7.214 1.263 1.00 0.00 H new ATOM 253 N ASN A 18 -0.949 -5.102 2.551 1.00 0.00 N ATOM 254 CA ASN A 18 -2.113 -5.729 3.227 1.00 0.00 C ATOM 255 C ASN A 18 -3.243 -5.843 2.208 1.00 0.00 C ATOM 256 O ASN A 18 -4.163 -6.624 2.356 1.00 0.00 O ATOM 257 CB ASN A 18 -2.569 -4.846 4.390 1.00 0.00 C ATOM 258 CG ASN A 18 -2.273 -5.545 5.719 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.129 -5.773 6.055 1.00 0.00 O ATOM 260 ND2 ASN A 18 -3.263 -5.891 6.496 1.00 0.00 N ATOM 0 H ASN A 18 -0.600 -4.249 2.988 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.842 -6.712 3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.056 -3.885 4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.636 -4.641 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.076 -6.353 7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.224 -5.699 6.213 1.00 0.00 H new ATOM 267 N TYR A 19 -3.171 -5.055 1.171 1.00 0.00 N ATOM 268 CA TYR A 19 -4.223 -5.085 0.119 1.00 0.00 C ATOM 269 C TYR A 19 -4.245 -6.463 -0.540 1.00 0.00 C ATOM 270 O TYR A 19 -5.273 -6.936 -0.983 1.00 0.00 O ATOM 271 CB TYR A 19 -3.909 -4.024 -0.940 1.00 0.00 C ATOM 272 CG TYR A 19 -4.001 -2.631 -0.343 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.212 -2.453 1.034 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.869 -1.512 -1.177 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.291 -1.160 1.570 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.948 -0.221 -0.639 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.158 -0.046 0.734 1.00 0.00 C ATOM 278 OH TYR A 19 -4.236 1.226 1.262 1.00 0.00 O ATOM 0 H TYR A 19 -2.420 -4.385 1.007 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.194 -4.880 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.909 -4.188 -1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.606 -4.116 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.313 -3.312 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.706 -1.645 -2.236 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.455 -1.024 2.629 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.847 0.640 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.731 1.847 0.696 1.00 0.00 H new ATOM 288 N CYS A 20 -3.118 -7.110 -0.608 1.00 0.00 N ATOM 289 CA CYS A 20 -3.068 -8.461 -1.239 1.00 0.00 C ATOM 290 C CYS A 20 -4.188 -9.328 -0.665 1.00 0.00 C ATOM 291 O CYS A 20 -4.805 -8.986 0.323 1.00 0.00 O ATOM 292 CB CYS A 20 -1.717 -9.116 -0.946 1.00 0.00 C ATOM 293 SG CYS A 20 -0.380 -7.965 -1.357 1.00 0.00 S ATOM 0 H CYS A 20 -2.226 -6.763 -0.254 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.195 -8.363 -2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.658 -9.397 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.613 -10.033 -1.527 1.00 0.00 H new ATOM 298 N ASN A 21 -4.455 -10.448 -1.274 1.00 0.00 N ATOM 299 CA ASN A 21 -5.537 -11.332 -0.757 1.00 0.00 C ATOM 300 C ASN A 21 -4.921 -12.450 0.084 1.00 0.00 C ATOM 301 O ASN A 21 -4.236 -13.284 -0.486 1.00 0.00 O ATOM 302 CB ASN A 21 -6.311 -11.939 -1.929 1.00 0.00 C ATOM 303 CG ASN A 21 -7.730 -12.290 -1.474 1.00 0.00 C ATOM 304 OD1 ASN A 21 -7.910 -12.989 -0.499 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.751 -11.829 -2.144 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.141 -12.452 1.284 1.00 0.00 O ATOM 0 H ASN A 21 -3.973 -10.790 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.219 -10.747 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.348 -11.234 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.802 -12.832 -2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.700 -12.056 -1.848 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.600 -11.241 -2.964 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.278 0.815 -5.203 1.00 0.00 N ATOM 315 CA PHE B 1 4.494 1.282 -4.023 1.00 0.00 C ATOM 316 C PHE B 1 4.841 2.744 -3.734 1.00 0.00 C ATOM 317 O PHE B 1 3.984 3.536 -3.393 1.00 0.00 O ATOM 318 CB PHE B 1 4.810 0.417 -2.793 1.00 0.00 C ATOM 319 CG PHE B 1 5.957 -0.523 -3.091 1.00 0.00 C ATOM 320 CD1 PHE B 1 5.705 -1.770 -3.677 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.269 -0.148 -2.779 1.00 0.00 C ATOM 322 CE1 PHE B 1 6.766 -2.643 -3.950 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.331 -1.020 -3.051 1.00 0.00 C ATOM 324 CZ PHE B 1 8.080 -2.268 -3.638 1.00 0.00 C ATOM 0 H1 PHE B 1 4.627 0.530 -5.962 1.00 0.00 H new ATOM 0 H2 PHE B 1 5.888 1.586 -5.542 1.00 0.00 H new ATOM 0 H3 PHE B 1 5.867 0.002 -4.929 1.00 0.00 H new ATOM 0 HA PHE B 1 3.430 1.194 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.065 1.055 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE B 1 3.928 -0.155 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE B 1 4.693 -2.058 -3.918 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.463 0.814 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.572 -3.605 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.343 -0.731 -2.809 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.898 -2.940 -3.850 1.00 0.00 H new ATOM 336 N VAL B 2 6.082 3.119 -3.891 1.00 0.00 N ATOM 337 CA VAL B 2 6.454 4.540 -3.648 1.00 0.00 C ATOM 338 C VAL B 2 6.051 5.345 -4.886 1.00 0.00 C ATOM 339 O VAL B 2 5.840 4.785 -5.944 1.00 0.00 O ATOM 340 CB VAL B 2 7.968 4.651 -3.390 1.00 0.00 C ATOM 341 CG1 VAL B 2 8.729 4.853 -4.706 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.236 5.841 -2.465 1.00 0.00 C ATOM 0 H VAL B 2 6.848 2.508 -4.175 1.00 0.00 H new ATOM 0 HA VAL B 2 5.940 4.929 -2.769 1.00 0.00 H new ATOM 0 HB VAL B 2 8.312 3.727 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.797 4.929 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.546 4.005 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL B 2 8.386 5.769 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.307 5.924 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.878 6.756 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.714 5.692 -1.520 1.00 0.00 H new ATOM 352 N ASN B 3 5.918 6.639 -4.773 1.00 0.00 N ATOM 353 CA ASN B 3 5.500 7.432 -5.967 1.00 0.00 C ATOM 354 C ASN B 3 5.010 8.812 -5.541 1.00 0.00 C ATOM 355 O ASN B 3 5.284 9.277 -4.456 1.00 0.00 O ATOM 356 CB ASN B 3 4.329 6.709 -6.634 1.00 0.00 C ATOM 357 CG ASN B 3 4.749 6.203 -8.014 1.00 0.00 C ATOM 358 OD1 ASN B 3 4.541 5.052 -8.341 1.00 0.00 O ATOM 359 ND2 ASN B 3 5.338 7.019 -8.844 1.00 0.00 N ATOM 0 H ASN B 3 6.077 7.176 -3.920 1.00 0.00 H new ATOM 0 HA ASN B 3 6.349 7.536 -6.643 1.00 0.00 H new ATOM 0 HB2 ASN B 3 4.005 5.873 -6.014 1.00 0.00 H new ATOM 0 HB3 ASN B 3 3.479 7.385 -6.728 1.00 0.00 H new ATOM 0 HD21 ASN B 3 5.623 6.690 -9.766 1.00 0.00 H new ATOM 0 HD22 ASN B 3 5.513 7.986 -8.571 1.00 0.00 H new ATOM 366 N GLN B 4 4.246 9.441 -6.393 1.00 0.00 N ATOM 367 CA GLN B 4 3.661 10.771 -6.074 1.00 0.00 C ATOM 368 C GLN B 4 2.149 10.644 -6.287 1.00 0.00 C ATOM 369 O GLN B 4 1.655 10.861 -7.373 1.00 0.00 O ATOM 370 CB GLN B 4 4.231 11.835 -7.016 1.00 0.00 C ATOM 371 CG GLN B 4 4.727 13.033 -6.202 1.00 0.00 C ATOM 372 CD GLN B 4 6.044 13.541 -6.791 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.095 12.996 -6.519 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.032 14.571 -7.592 1.00 0.00 N ATOM 0 H GLN B 4 3.999 9.080 -7.314 1.00 0.00 H new ATOM 0 HA GLN B 4 3.895 11.069 -5.052 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.050 11.416 -7.600 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.466 12.155 -7.723 1.00 0.00 H new ATOM 0 HG2 GLN B 4 3.981 13.828 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.870 12.744 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.150 15.029 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.905 14.918 -7.989 1.00 0.00 H new ATOM 383 N HIS B 5 1.426 10.253 -5.266 1.00 0.00 N ATOM 384 CA HIS B 5 -0.049 10.060 -5.391 1.00 0.00 C ATOM 385 C HIS B 5 -0.319 8.694 -6.020 1.00 0.00 C ATOM 386 O HIS B 5 -0.182 8.494 -7.210 1.00 0.00 O ATOM 387 CB HIS B 5 -0.662 11.188 -6.219 1.00 0.00 C ATOM 388 CG HIS B 5 -0.240 12.479 -5.585 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.892 13.146 -5.996 1.00 0.00 N ATOM 390 CD2 HIS B 5 -0.761 13.161 -4.523 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.034 14.198 -5.178 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.045 14.250 -4.260 1.00 0.00 N ATOM 0 H HIS B 5 1.803 10.057 -4.339 1.00 0.00 H new ATOM 0 HA HIS B 5 -0.514 10.090 -4.405 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.320 11.137 -7.253 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.749 11.105 -6.238 1.00 0.00 H new ATOM 0 HD1 HIS B 5 1.503 12.890 -6.771 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.655 12.893 -3.979 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.839 14.915 -5.245 1.00 0.00 H new ATOM 400 N LEU B 6 -0.679 7.748 -5.198 1.00 0.00 N ATOM 401 CA LEU B 6 -0.945 6.360 -5.674 1.00 0.00 C ATOM 402 C LEU B 6 -2.334 6.282 -6.308 1.00 0.00 C ATOM 403 O LEU B 6 -2.483 6.175 -7.516 1.00 0.00 O ATOM 404 CB LEU B 6 -0.896 5.431 -4.450 1.00 0.00 C ATOM 405 CG LEU B 6 0.294 4.468 -4.522 1.00 0.00 C ATOM 406 CD1 LEU B 6 -0.119 3.249 -5.329 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.503 5.142 -5.182 1.00 0.00 C ATOM 0 H LEU B 6 -0.803 7.881 -4.194 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.204 6.068 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.827 6.029 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -1.823 4.861 -4.387 1.00 0.00 H new ATOM 0 HG LEU B 6 0.581 4.175 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.717 2.553 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.963 2.760 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.408 3.558 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.335 4.439 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.240 5.451 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.795 6.016 -4.600 1.00 0.00 H new ATOM 419 N CYS B 7 -3.336 6.304 -5.489 1.00 0.00 N ATOM 420 CA CYS B 7 -4.741 6.218 -5.984 1.00 0.00 C ATOM 421 C CYS B 7 -5.052 4.776 -6.372 1.00 0.00 C ATOM 422 O CYS B 7 -4.274 3.874 -6.131 1.00 0.00 O ATOM 423 CB CYS B 7 -4.942 7.125 -7.206 1.00 0.00 C ATOM 424 SG CYS B 7 -4.347 8.795 -6.841 1.00 0.00 S ATOM 0 H CYS B 7 -3.246 6.379 -4.476 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.412 6.546 -5.190 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.406 6.718 -8.063 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.998 7.157 -7.476 1.00 0.00 H new ATOM 429 N GLY B 8 -6.185 4.550 -6.970 1.00 0.00 N ATOM 430 CA GLY B 8 -6.550 3.166 -7.371 1.00 0.00 C ATOM 431 C GLY B 8 -5.509 2.616 -8.349 1.00 0.00 C ATOM 432 O GLY B 8 -4.873 1.617 -8.091 1.00 0.00 O ATOM 0 H GLY B 8 -6.875 5.265 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.608 2.526 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.536 3.161 -7.835 1.00 0.00 H new ATOM 436 N SER B 9 -5.338 3.253 -9.473 1.00 0.00 N ATOM 437 CA SER B 9 -4.350 2.751 -10.470 1.00 0.00 C ATOM 438 C SER B 9 -3.025 2.398 -9.792 1.00 0.00 C ATOM 439 O SER B 9 -2.686 1.239 -9.658 1.00 0.00 O ATOM 440 CB SER B 9 -4.097 3.813 -11.533 1.00 0.00 C ATOM 441 OG SER B 9 -4.362 5.100 -10.989 1.00 0.00 O ATOM 0 H SER B 9 -5.839 4.099 -9.745 1.00 0.00 H new ATOM 0 HA SER B 9 -4.763 1.854 -10.933 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.065 3.758 -11.879 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.734 3.634 -12.400 1.00 0.00 H new ATOM 0 HG SER B 9 -4.198 5.784 -11.672 1.00 0.00 H new ATOM 447 N ASP B 10 -2.255 3.380 -9.383 1.00 0.00 N ATOM 448 CA ASP B 10 -0.945 3.068 -8.745 1.00 0.00 C ATOM 449 C ASP B 10 -1.120 1.922 -7.763 1.00 0.00 C ATOM 450 O ASP B 10 -0.347 0.985 -7.740 1.00 0.00 O ATOM 451 CB ASP B 10 -0.412 4.300 -8.016 1.00 0.00 C ATOM 452 CG ASP B 10 -0.191 5.434 -9.017 1.00 0.00 C ATOM 453 OD1 ASP B 10 -0.929 5.497 -9.986 1.00 0.00 O ATOM 454 OD2 ASP B 10 0.714 6.223 -8.797 1.00 0.00 O ATOM 0 H ASP B 10 -2.478 4.372 -9.464 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.230 2.778 -9.515 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.118 4.613 -7.247 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.524 4.060 -7.511 1.00 0.00 H new ATOM 459 N LEU B 11 -2.141 1.975 -6.966 1.00 0.00 N ATOM 460 CA LEU B 11 -2.377 0.868 -6.005 1.00 0.00 C ATOM 461 C LEU B 11 -2.260 -0.435 -6.779 1.00 0.00 C ATOM 462 O LEU B 11 -1.217 -1.055 -6.816 1.00 0.00 O ATOM 463 CB LEU B 11 -3.793 0.993 -5.423 1.00 0.00 C ATOM 464 CG LEU B 11 -3.782 1.600 -4.009 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.526 2.439 -3.775 1.00 0.00 C ATOM 466 CD2 LEU B 11 -5.006 2.500 -3.849 1.00 0.00 C ATOM 0 H LEU B 11 -2.822 2.734 -6.936 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.656 0.900 -5.188 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -4.402 1.614 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.261 0.009 -5.392 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.797 0.785 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.548 2.854 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.642 1.811 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.490 3.251 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -5.009 2.936 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.972 3.296 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.912 1.911 -3.990 1.00 0.00 H new ATOM 478 N VAL B 12 -3.338 -0.845 -7.390 1.00 0.00 N ATOM 479 CA VAL B 12 -3.346 -2.113 -8.193 1.00 0.00 C ATOM 480 C VAL B 12 -1.983 -2.287 -8.863 1.00 0.00 C ATOM 481 O VAL B 12 -1.506 -3.387 -9.055 1.00 0.00 O ATOM 482 CB VAL B 12 -4.484 -2.088 -9.260 1.00 0.00 C ATOM 483 CG1 VAL B 12 -5.285 -0.794 -9.171 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.921 -2.180 -10.681 1.00 0.00 C ATOM 0 H VAL B 12 -4.230 -0.351 -7.369 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.535 -2.957 -7.530 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.120 -2.948 -9.053 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.072 -0.801 -9.925 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.732 -0.710 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.624 0.056 -9.344 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.741 -2.160 -11.399 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.257 -1.335 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.364 -3.110 -10.792 1.00 0.00 H new ATOM 494 N GLU B 13 -1.346 -1.204 -9.203 1.00 0.00 N ATOM 495 CA GLU B 13 -0.008 -1.310 -9.837 1.00 0.00 C ATOM 496 C GLU B 13 0.969 -1.785 -8.772 1.00 0.00 C ATOM 497 O GLU B 13 1.616 -2.804 -8.916 1.00 0.00 O ATOM 498 CB GLU B 13 0.415 0.055 -10.386 1.00 0.00 C ATOM 499 CG GLU B 13 -0.736 0.648 -11.201 1.00 0.00 C ATOM 500 CD GLU B 13 -0.318 0.764 -12.667 1.00 0.00 C ATOM 501 OE1 GLU B 13 0.246 -0.189 -13.179 1.00 0.00 O ATOM 502 OE2 GLU B 13 -0.566 1.805 -13.254 1.00 0.00 O ATOM 0 H GLU B 13 -1.693 -0.254 -9.070 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.027 -2.014 -10.669 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.679 0.724 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.302 -0.050 -11.010 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.620 0.017 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.004 1.629 -10.810 1.00 0.00 H new ATOM 509 N ALA B 14 1.047 -1.083 -7.678 1.00 0.00 N ATOM 510 CA ALA B 14 1.943 -1.532 -6.586 1.00 0.00 C ATOM 511 C ALA B 14 1.413 -2.874 -6.098 1.00 0.00 C ATOM 512 O ALA B 14 2.144 -3.829 -5.924 1.00 0.00 O ATOM 513 CB ALA B 14 1.912 -0.516 -5.443 1.00 0.00 C ATOM 0 H ALA B 14 0.531 -0.222 -7.496 1.00 0.00 H new ATOM 0 HA ALA B 14 2.971 -1.623 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.572 -0.849 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.247 0.454 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.895 -0.428 -5.062 1.00 0.00 H new ATOM 519 N LEU B 15 0.127 -2.947 -5.903 1.00 0.00 N ATOM 520 CA LEU B 15 -0.497 -4.222 -5.448 1.00 0.00 C ATOM 521 C LEU B 15 0.019 -5.366 -6.318 1.00 0.00 C ATOM 522 O LEU B 15 0.422 -6.404 -5.831 1.00 0.00 O ATOM 523 CB LEU B 15 -2.030 -4.177 -5.610 1.00 0.00 C ATOM 524 CG LEU B 15 -2.680 -2.896 -5.047 1.00 0.00 C ATOM 525 CD1 LEU B 15 -3.902 -3.268 -4.217 1.00 0.00 C ATOM 526 CD2 LEU B 15 -1.725 -2.084 -4.170 1.00 0.00 C ATOM 0 H LEU B 15 -0.524 -2.174 -6.040 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.243 -4.367 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.277 -4.263 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.464 -5.043 -5.110 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.956 -2.279 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.361 -2.363 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.621 -3.794 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.599 -3.913 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.236 -1.195 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.401 -2.692 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.856 -1.786 -4.757 1.00 0.00 H new ATOM 538 N TYR B 16 -0.016 -5.188 -7.609 1.00 0.00 N ATOM 539 CA TYR B 16 0.445 -6.268 -8.527 1.00 0.00 C ATOM 540 C TYR B 16 1.937 -6.526 -8.327 1.00 0.00 C ATOM 541 O TYR B 16 2.436 -7.597 -8.607 1.00 0.00 O ATOM 542 CB TYR B 16 0.186 -5.853 -9.976 1.00 0.00 C ATOM 543 CG TYR B 16 -1.081 -6.515 -10.464 1.00 0.00 C ATOM 544 CD1 TYR B 16 -1.309 -7.871 -10.198 1.00 0.00 C ATOM 545 CD2 TYR B 16 -2.029 -5.772 -11.180 1.00 0.00 C ATOM 546 CE1 TYR B 16 -2.486 -8.486 -10.647 1.00 0.00 C ATOM 547 CE2 TYR B 16 -3.206 -6.385 -11.629 1.00 0.00 C ATOM 548 CZ TYR B 16 -3.435 -7.743 -11.363 1.00 0.00 C ATOM 549 OH TYR B 16 -4.593 -8.347 -11.804 1.00 0.00 O ATOM 0 H TYR B 16 -0.345 -4.339 -8.070 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.106 -7.182 -8.305 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.094 -4.769 -10.045 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.027 -6.142 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.578 -8.443 -9.647 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.852 -4.727 -11.386 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.662 -9.532 -10.441 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.937 -5.812 -12.180 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.143 -7.691 -12.282 1.00 0.00 H new ATOM 559 N LEU B 17 2.652 -5.553 -7.844 1.00 0.00 N ATOM 560 CA LEU B 17 4.112 -5.742 -7.624 1.00 0.00 C ATOM 561 C LEU B 17 4.346 -6.213 -6.196 1.00 0.00 C ATOM 562 O LEU B 17 5.281 -6.934 -5.909 1.00 0.00 O ATOM 563 CB LEU B 17 4.837 -4.417 -7.843 1.00 0.00 C ATOM 564 CG LEU B 17 4.515 -3.894 -9.239 1.00 0.00 C ATOM 565 CD1 LEU B 17 4.560 -2.367 -9.232 1.00 0.00 C ATOM 566 CD2 LEU B 17 5.549 -4.434 -10.224 1.00 0.00 C ATOM 0 H LEU B 17 2.290 -4.634 -7.591 1.00 0.00 H new ATOM 0 HA LEU B 17 4.493 -6.485 -8.325 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.529 -3.692 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.913 -4.555 -7.732 1.00 0.00 H new ATOM 0 HG LEU B 17 3.519 -4.223 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.330 -1.992 -10.229 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.826 -1.985 -8.522 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.556 -2.034 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.326 -4.065 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.543 -4.100 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.517 -5.524 -10.224 1.00 0.00 H new ATOM 578 N VAL B 18 3.504 -5.806 -5.298 1.00 0.00 N ATOM 579 CA VAL B 18 3.675 -6.226 -3.885 1.00 0.00 C ATOM 580 C VAL B 18 2.948 -7.554 -3.657 1.00 0.00 C ATOM 581 O VAL B 18 3.354 -8.366 -2.850 1.00 0.00 O ATOM 582 CB VAL B 18 3.110 -5.147 -2.949 1.00 0.00 C ATOM 583 CG1 VAL B 18 1.796 -4.616 -3.500 1.00 0.00 C ATOM 584 CG2 VAL B 18 2.846 -5.736 -1.568 1.00 0.00 C ATOM 0 H VAL B 18 2.704 -5.200 -5.479 1.00 0.00 H new ATOM 0 HA VAL B 18 4.736 -6.357 -3.670 1.00 0.00 H new ATOM 0 HB VAL B 18 3.840 -4.341 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.403 -3.852 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.964 -4.183 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.078 -5.433 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.446 -4.962 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.125 -6.550 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.778 -6.118 -1.151 1.00 0.00 H new ATOM 594 N CYS B 19 1.879 -7.779 -4.362 1.00 0.00 N ATOM 595 CA CYS B 19 1.125 -9.051 -4.189 1.00 0.00 C ATOM 596 C CYS B 19 1.533 -10.037 -5.282 1.00 0.00 C ATOM 597 O CYS B 19 1.878 -11.171 -5.018 1.00 0.00 O ATOM 598 CB CYS B 19 -0.377 -8.775 -4.279 1.00 0.00 C ATOM 599 SG CYS B 19 -0.801 -7.355 -3.237 1.00 0.00 S ATOM 0 H CYS B 19 1.492 -7.136 -5.053 1.00 0.00 H new ATOM 0 HA CYS B 19 1.353 -9.478 -3.212 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.659 -8.576 -5.313 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.938 -9.653 -3.959 1.00 0.00 H new ATOM 604 N GLY B 20 1.500 -9.605 -6.507 1.00 0.00 N ATOM 605 CA GLY B 20 1.889 -10.506 -7.631 1.00 0.00 C ATOM 606 C GLY B 20 0.772 -11.518 -7.891 1.00 0.00 C ATOM 607 O GLY B 20 0.653 -12.516 -7.209 1.00 0.00 O ATOM 0 H GLY B 20 1.220 -8.664 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.079 -9.920 -8.530 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.815 -11.027 -7.389 1.00 0.00 H new ATOM 611 N GLU B 21 -0.048 -11.269 -8.875 1.00 0.00 N ATOM 612 CA GLU B 21 -1.155 -12.217 -9.180 1.00 0.00 C ATOM 613 C GLU B 21 -2.102 -12.301 -7.982 1.00 0.00 C ATOM 614 O GLU B 21 -1.896 -11.662 -6.971 1.00 0.00 O ATOM 615 CB GLU B 21 -0.575 -13.606 -9.469 1.00 0.00 C ATOM 616 CG GLU B 21 0.560 -13.481 -10.486 1.00 0.00 C ATOM 617 CD GLU B 21 -0.017 -13.142 -11.860 1.00 0.00 C ATOM 618 OE1 GLU B 21 -0.547 -12.052 -12.005 1.00 0.00 O ATOM 619 OE2 GLU B 21 0.081 -13.975 -12.746 1.00 0.00 O ATOM 0 H GLU B 21 0.001 -10.450 -9.481 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.704 -11.863 -10.053 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.205 -14.056 -8.548 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.353 -14.264 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.259 -12.705 -10.173 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.121 -14.414 -10.536 1.00 0.00 H new ATOM 626 N ARG B 22 -3.146 -13.083 -8.106 1.00 0.00 N ATOM 627 CA ARG B 22 -4.143 -13.238 -7.001 1.00 0.00 C ATOM 628 C ARG B 22 -5.178 -12.116 -7.080 1.00 0.00 C ATOM 629 O ARG B 22 -6.258 -12.216 -6.534 1.00 0.00 O ATOM 630 CB ARG B 22 -3.456 -13.192 -5.629 1.00 0.00 C ATOM 631 CG ARG B 22 -2.262 -14.152 -5.601 1.00 0.00 C ATOM 632 CD ARG B 22 -1.493 -13.967 -4.290 1.00 0.00 C ATOM 633 NE ARG B 22 -1.629 -15.195 -3.453 1.00 0.00 N ATOM 634 CZ ARG B 22 -0.766 -15.438 -2.501 1.00 0.00 C ATOM 635 NH1 ARG B 22 -0.979 -14.988 -1.295 1.00 0.00 N ATOM 636 NH2 ARG B 22 0.307 -16.138 -2.754 1.00 0.00 N ATOM 0 H ARG B 22 -3.353 -13.630 -8.942 1.00 0.00 H new ATOM 0 HA ARG B 22 -4.630 -14.206 -7.117 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.121 -12.177 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.168 -13.463 -4.849 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.607 -15.182 -5.691 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -1.607 -13.960 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.441 -13.771 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.878 -13.102 -3.750 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.396 -15.845 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.819 -14.446 -1.094 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.305 -15.178 -0.553 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.473 -16.496 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.980 -16.327 -2.011 1.00 0.00 H new ATOM 650 N GLY B 23 -4.856 -11.047 -7.753 1.00 0.00 N ATOM 651 CA GLY B 23 -5.822 -9.915 -7.864 1.00 0.00 C ATOM 652 C GLY B 23 -5.816 -9.089 -6.573 1.00 0.00 C ATOM 653 O GLY B 23 -6.399 -8.026 -6.510 1.00 0.00 O ATOM 0 H GLY B 23 -3.966 -10.907 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.557 -9.282 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.824 -10.299 -8.054 1.00 0.00 H new ATOM 657 N PHE B 24 -5.168 -9.573 -5.544 1.00 0.00 N ATOM 658 CA PHE B 24 -5.128 -8.824 -4.255 1.00 0.00 C ATOM 659 C PHE B 24 -6.510 -8.251 -3.942 1.00 0.00 C ATOM 660 O PHE B 24 -7.494 -8.601 -4.562 1.00 0.00 O ATOM 661 CB PHE B 24 -4.102 -7.692 -4.340 1.00 0.00 C ATOM 662 CG PHE B 24 -4.276 -6.921 -5.624 1.00 0.00 C ATOM 663 CD1 PHE B 24 -5.213 -5.884 -5.693 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.485 -7.227 -6.740 1.00 0.00 C ATOM 665 CE1 PHE B 24 -5.360 -5.152 -6.877 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.634 -6.496 -7.927 1.00 0.00 C ATOM 667 CZ PHE B 24 -4.571 -5.456 -7.994 1.00 0.00 C ATOM 0 H PHE B 24 -4.663 -10.459 -5.543 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.837 -9.507 -3.457 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.218 -7.023 -3.488 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.093 -8.102 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.823 -5.649 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.761 -8.026 -6.685 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.083 -4.351 -6.930 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.028 -6.734 -8.788 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.685 -4.889 -8.906 1.00 0.00 H new ATOM 677 N PHE B 25 -6.597 -7.383 -2.972 1.00 0.00 N ATOM 678 CA PHE B 25 -7.920 -6.800 -2.616 1.00 0.00 C ATOM 679 C PHE B 25 -7.733 -5.429 -1.961 1.00 0.00 C ATOM 680 O PHE B 25 -7.450 -5.324 -0.784 1.00 0.00 O ATOM 681 CB PHE B 25 -8.641 -7.728 -1.638 1.00 0.00 C ATOM 682 CG PHE B 25 -10.086 -7.304 -1.518 1.00 0.00 C ATOM 683 CD1 PHE B 25 -10.426 -6.180 -0.753 1.00 0.00 C ATOM 684 CD2 PHE B 25 -11.085 -8.035 -2.173 1.00 0.00 C ATOM 685 CE1 PHE B 25 -11.767 -5.787 -0.643 1.00 0.00 C ATOM 686 CE2 PHE B 25 -12.425 -7.643 -2.064 1.00 0.00 C ATOM 687 CZ PHE B 25 -12.766 -6.519 -1.300 1.00 0.00 C ATOM 0 H PHE B 25 -5.811 -7.053 -2.412 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.511 -6.687 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.581 -8.759 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.158 -7.692 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.655 -5.617 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.822 -8.901 -2.762 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.030 -4.922 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.195 -8.207 -2.569 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.799 -6.216 -1.217 1.00 0.00 H new ATOM 697 N TYR B 26 -7.908 -4.379 -2.713 1.00 0.00 N ATOM 698 CA TYR B 26 -7.762 -3.014 -2.134 1.00 0.00 C ATOM 699 C TYR B 26 -9.022 -2.205 -2.458 1.00 0.00 C ATOM 700 O TYR B 26 -9.729 -2.497 -3.402 1.00 0.00 O ATOM 701 CB TYR B 26 -6.531 -2.326 -2.733 1.00 0.00 C ATOM 702 CG TYR B 26 -6.840 -1.847 -4.132 1.00 0.00 C ATOM 703 CD1 TYR B 26 -6.929 -2.766 -5.186 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.052 -0.483 -4.372 1.00 0.00 C ATOM 705 CE1 TYR B 26 -7.233 -2.319 -6.478 1.00 0.00 C ATOM 706 CE2 TYR B 26 -7.351 -0.038 -5.663 1.00 0.00 C ATOM 707 CZ TYR B 26 -7.443 -0.956 -6.716 1.00 0.00 C ATOM 708 OH TYR B 26 -7.747 -0.518 -7.990 1.00 0.00 O ATOM 0 H TYR B 26 -8.146 -4.407 -3.704 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.634 -3.080 -1.054 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.234 -1.484 -2.108 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.690 -3.019 -2.754 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.763 -3.817 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.984 0.225 -3.559 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.305 -3.026 -7.291 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.511 1.014 -5.848 1.00 0.00 H new ATOM 0 HH TYR B 26 -7.863 0.455 -7.982 1.00 0.00 H new ATOM 718 N THR B 27 -9.315 -1.198 -1.685 1.00 0.00 N ATOM 719 CA THR B 27 -10.535 -0.388 -1.960 1.00 0.00 C ATOM 720 C THR B 27 -10.136 0.981 -2.512 1.00 0.00 C ATOM 721 O THR B 27 -8.975 1.261 -2.736 1.00 0.00 O ATOM 722 CB THR B 27 -11.330 -0.213 -0.665 1.00 0.00 C ATOM 723 OG1 THR B 27 -10.634 0.671 0.202 1.00 0.00 O ATOM 724 CG2 THR B 27 -11.496 -1.573 0.013 1.00 0.00 C ATOM 0 H THR B 27 -8.766 -0.901 -0.878 1.00 0.00 H new ATOM 0 HA THR B 27 -11.152 -0.901 -2.698 1.00 0.00 H new ATOM 0 HB THR B 27 -12.312 0.203 -0.891 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.144 0.785 1.031 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.062 -1.452 0.937 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.030 -2.249 -0.654 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.514 -1.988 0.241 1.00 0.00 H new ATOM 732 N ASP B 28 -11.096 1.837 -2.739 1.00 0.00 N ATOM 733 CA ASP B 28 -10.784 3.188 -3.282 1.00 0.00 C ATOM 734 C ASP B 28 -11.635 4.234 -2.551 1.00 0.00 C ATOM 735 O ASP B 28 -11.751 4.206 -1.341 1.00 0.00 O ATOM 736 CB ASP B 28 -11.092 3.208 -4.783 1.00 0.00 C ATOM 737 CG ASP B 28 -10.239 4.279 -5.466 1.00 0.00 C ATOM 738 OD1 ASP B 28 -9.037 4.092 -5.540 1.00 0.00 O ATOM 739 OD2 ASP B 28 -10.805 5.268 -5.904 1.00 0.00 O ATOM 0 H ASP B 28 -12.086 1.657 -2.571 1.00 0.00 H new ATOM 0 HA ASP B 28 -9.730 3.420 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.886 2.231 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -12.150 3.413 -4.945 1.00 0.00 H new ATOM 744 N LYS B 29 -12.232 5.158 -3.261 1.00 0.00 N ATOM 745 CA LYS B 29 -13.066 6.192 -2.580 1.00 0.00 C ATOM 746 C LYS B 29 -13.939 5.526 -1.516 1.00 0.00 C ATOM 747 O LYS B 29 -13.620 5.660 -0.346 1.00 0.00 O ATOM 748 CB LYS B 29 -13.962 6.889 -3.606 1.00 0.00 C ATOM 749 CG LYS B 29 -13.912 8.403 -3.380 1.00 0.00 C ATOM 750 CD LYS B 29 -15.291 9.007 -3.654 1.00 0.00 C ATOM 751 CE LYS B 29 -15.484 9.180 -5.162 1.00 0.00 C ATOM 752 NZ LYS B 29 -16.480 10.260 -5.415 1.00 0.00 N ATOM 753 OXT LYS B 29 -14.913 4.891 -1.889 1.00 0.00 O ATOM 0 H LYS B 29 -12.178 5.240 -4.276 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.413 6.927 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.631 6.650 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.987 6.530 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -13.606 8.618 -2.356 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.169 8.855 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.070 8.360 -3.249 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.384 9.970 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.534 9.429 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.825 8.245 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.611 10.378 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.388 10.005 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.136 11.152 -5.005 1.00 0.00 H new TER 767 LYS B 29