USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 261 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 4 ASN : amide:sc= -3.41! C(o=-3.2!,f=-3.9!) USER MOD Set 1.2: A 7 SER OG : rot 180:sc= 0.176 USER MOD Single : A 1 ASP N :NH3+ 168:sc= -0.0427 (180deg=-0.238) USER MOD Single : A 2 HIS : no HE2:sc= -0.0864 K(o=-0.086,f=-1.4) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.111 USER MOD Single : A 21 THR OG1 : rot -162:sc= -0.974 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -4.75! K(o=-4.8!,f=-0.98) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= -2.82! (180deg=-4.03!) USER MOD Single : A 33 LYS NZ :NH3+ -125:sc= 0.293 (180deg=-0.141) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= -6.25! (180deg=-7.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.105 5.646 -0.529 1.00 0.00 N ATOM 2 CA ASP A 1 10.191 5.873 -1.679 1.00 0.00 C ATOM 3 C ASP A 1 8.753 5.511 -1.322 1.00 0.00 C ATOM 4 O ASP A 1 7.950 5.178 -2.195 1.00 0.00 O ATOM 5 CB ASP A 1 10.673 5.026 -2.858 1.00 0.00 C ATOM 6 CG ASP A 1 11.078 5.873 -4.049 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.208 6.404 -4.043 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.264 6.006 -4.987 1.00 0.00 O ATOM 0 H1 ASP A 1 12.092 5.703 -0.853 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.936 6.371 0.197 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.927 4.704 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 1 10.205 6.930 -1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.521 4.418 -2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.881 4.339 -3.156 1.00 0.00 H new ATOM 15 N HIS A 2 8.434 5.581 -0.032 1.00 0.00 N ATOM 16 CA HIS A 2 7.093 5.264 0.445 1.00 0.00 C ATOM 17 C HIS A 2 6.061 6.188 -0.199 1.00 0.00 C ATOM 18 O HIS A 2 6.050 7.394 0.051 1.00 0.00 O ATOM 19 CB HIS A 2 7.039 5.377 1.975 1.00 0.00 C ATOM 20 CG HIS A 2 5.687 5.734 2.521 1.00 0.00 C ATOM 21 ND1 HIS A 2 5.387 6.982 3.027 1.00 0.00 N ATOM 22 CD2 HIS A 2 4.555 5.000 2.641 1.00 0.00 C ATOM 23 CE1 HIS A 2 4.131 7.000 3.436 1.00 0.00 C ATOM 24 NE2 HIS A 2 3.604 5.810 3.213 1.00 0.00 N ATOM 0 H HIS A 2 9.088 5.855 0.702 1.00 0.00 H new ATOM 0 HA HIS A 2 6.854 4.239 0.161 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.354 4.428 2.409 1.00 0.00 H new ATOM 0 HB3 HIS A 2 7.758 6.130 2.298 1.00 0.00 H new ATOM 0 HD1 HIS A 2 6.034 7.769 3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.424 3.970 2.343 1.00 0.00 H new ATOM 0 HE1 HIS A 2 3.622 7.844 3.877 1.00 0.00 H new ATOM 33 N TYR A 3 5.197 5.612 -1.030 1.00 0.00 N ATOM 34 CA TYR A 3 4.163 6.381 -1.709 1.00 0.00 C ATOM 35 C TYR A 3 3.202 7.000 -0.702 1.00 0.00 C ATOM 36 O TYR A 3 3.200 6.634 0.473 1.00 0.00 O ATOM 37 CB TYR A 3 3.391 5.490 -2.682 1.00 0.00 C ATOM 38 CG TYR A 3 2.855 6.233 -3.883 1.00 0.00 C ATOM 39 CD1 TYR A 3 3.684 6.554 -4.949 1.00 0.00 C ATOM 40 CD2 TYR A 3 1.521 6.614 -3.951 1.00 0.00 C ATOM 41 CE1 TYR A 3 3.201 7.234 -6.049 1.00 0.00 C ATOM 42 CE2 TYR A 3 1.029 7.294 -5.049 1.00 0.00 C ATOM 43 CZ TYR A 3 1.873 7.602 -6.095 1.00 0.00 C ATOM 44 OH TYR A 3 1.388 8.278 -7.190 1.00 0.00 O ATOM 0 H TYR A 3 5.194 4.616 -1.248 1.00 0.00 H new ATOM 0 HA TYR A 3 4.647 7.182 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.044 4.687 -3.023 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.560 5.022 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.725 6.267 -4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.858 6.375 -3.133 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.860 7.477 -6.869 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.011 7.583 -5.088 1.00 0.00 H new ATOM 0 HH TYR A 3 0.434 8.462 -7.065 1.00 0.00 H new ATOM 54 N ASN A 4 2.385 7.938 -1.166 1.00 0.00 N ATOM 55 CA ASN A 4 1.421 8.599 -0.298 1.00 0.00 C ATOM 56 C ASN A 4 0.170 7.746 -0.132 1.00 0.00 C ATOM 57 O ASN A 4 -0.862 7.992 -0.757 1.00 0.00 O ATOM 58 CB ASN A 4 1.065 9.982 -0.851 1.00 0.00 C ATOM 59 CG ASN A 4 -0.045 10.657 -0.071 1.00 0.00 C ATOM 60 OD1 ASN A 4 -1.206 10.639 -0.480 1.00 0.00 O ATOM 61 ND2 ASN A 4 0.310 11.262 1.056 1.00 0.00 N ATOM 0 H ASN A 4 2.371 8.256 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 4 1.875 8.728 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.952 10.615 -0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.763 9.885 -1.894 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.392 11.738 1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.285 11.251 1.356 1.00 0.00 H new ATOM 68 N CYS A 5 0.284 6.738 0.722 1.00 0.00 N ATOM 69 CA CYS A 5 -0.815 5.826 1.001 1.00 0.00 C ATOM 70 C CYS A 5 -1.401 6.112 2.380 1.00 0.00 C ATOM 71 O CYS A 5 -2.593 6.386 2.517 1.00 0.00 O ATOM 72 CB CYS A 5 -0.325 4.381 0.928 1.00 0.00 C ATOM 73 SG CYS A 5 1.149 4.150 -0.118 1.00 0.00 S ATOM 0 H CYS A 5 1.138 6.530 1.239 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.594 5.974 0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.100 4.033 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.131 3.754 0.546 1.00 0.00 H new ATOM 78 N VAL A 6 -0.542 6.059 3.396 1.00 0.00 N ATOM 79 CA VAL A 6 -0.942 6.325 4.772 1.00 0.00 C ATOM 80 C VAL A 6 -1.617 7.693 4.895 1.00 0.00 C ATOM 81 O VAL A 6 -2.231 8.004 5.917 1.00 0.00 O ATOM 82 CB VAL A 6 0.281 6.265 5.709 1.00 0.00 C ATOM 83 CG1 VAL A 6 -0.121 6.510 7.156 1.00 0.00 C ATOM 84 CG2 VAL A 6 0.990 4.926 5.570 1.00 0.00 C ATOM 0 H VAL A 6 0.446 5.831 3.287 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.658 5.557 5.064 1.00 0.00 H new ATOM 0 HB VAL A 6 0.970 7.057 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.763 6.461 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.578 7.495 7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.836 5.749 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.851 4.899 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.303 4.121 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.325 4.797 4.541 1.00 0.00 H new ATOM 94 N SER A 7 -1.490 8.501 3.840 1.00 0.00 N ATOM 95 CA SER A 7 -2.072 9.844 3.797 1.00 0.00 C ATOM 96 C SER A 7 -3.401 9.911 4.545 1.00 0.00 C ATOM 97 O SER A 7 -3.609 10.788 5.383 1.00 0.00 O ATOM 98 CB SER A 7 -2.282 10.277 2.346 1.00 0.00 C ATOM 99 OG SER A 7 -2.451 11.681 2.253 1.00 0.00 O ATOM 0 H SER A 7 -0.982 8.244 2.994 1.00 0.00 H new ATOM 0 HA SER A 7 -1.373 10.520 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.427 9.970 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.158 9.774 1.936 1.00 0.00 H new ATOM 0 HG SER A 7 -2.582 11.933 1.315 1.00 0.00 H new ATOM 105 N SER A 8 -4.295 8.979 4.235 1.00 0.00 N ATOM 106 CA SER A 8 -5.605 8.932 4.877 1.00 0.00 C ATOM 107 C SER A 8 -5.692 7.760 5.848 1.00 0.00 C ATOM 108 O SER A 8 -6.541 7.741 6.739 1.00 0.00 O ATOM 109 CB SER A 8 -6.708 8.821 3.822 1.00 0.00 C ATOM 110 OG SER A 8 -7.969 8.583 4.425 1.00 0.00 O ATOM 0 H SER A 8 -4.138 8.246 3.544 1.00 0.00 H new ATOM 0 HA SER A 8 -5.742 9.856 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.749 9.739 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.474 8.012 3.130 1.00 0.00 H new ATOM 0 HG SER A 8 -8.657 8.518 3.730 1.00 0.00 H new ATOM 116 N GLY A 9 -4.808 6.785 5.667 1.00 0.00 N ATOM 117 CA GLY A 9 -4.799 5.620 6.531 1.00 0.00 C ATOM 118 C GLY A 9 -4.628 4.329 5.755 1.00 0.00 C ATOM 119 O GLY A 9 -5.192 3.297 6.121 1.00 0.00 O ATOM 0 H GLY A 9 -4.097 6.781 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.991 5.715 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.731 5.582 7.095 1.00 0.00 H new ATOM 123 N GLY A 10 -3.846 4.389 4.681 1.00 0.00 N ATOM 124 CA GLY A 10 -3.613 3.212 3.865 1.00 0.00 C ATOM 125 C GLY A 10 -2.844 2.136 4.606 1.00 0.00 C ATOM 126 O GLY A 10 -2.437 2.333 5.751 1.00 0.00 O ATOM 0 H GLY A 10 -3.370 5.232 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.570 2.808 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.061 3.498 2.970 1.00 0.00 H new ATOM 130 N GLN A 11 -2.645 0.995 3.953 1.00 0.00 N ATOM 131 CA GLN A 11 -1.920 -0.116 4.559 1.00 0.00 C ATOM 132 C GLN A 11 -1.097 -0.864 3.516 1.00 0.00 C ATOM 133 O GLN A 11 -1.530 -1.038 2.376 1.00 0.00 O ATOM 134 CB GLN A 11 -2.896 -1.078 5.239 1.00 0.00 C ATOM 135 CG GLN A 11 -2.527 -1.404 6.678 1.00 0.00 C ATOM 136 CD GLN A 11 -1.613 -2.609 6.788 1.00 0.00 C ATOM 137 OE1 GLN A 11 -2.016 -3.737 6.502 1.00 0.00 O ATOM 138 NE2 GLN A 11 -0.374 -2.376 7.206 1.00 0.00 N ATOM 0 H GLN A 11 -2.976 0.816 3.005 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.240 0.292 5.307 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.895 -0.643 5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.940 -2.004 4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.038 -0.540 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.437 -1.589 7.249 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.082 -1.425 7.432 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.286 -3.148 7.301 1.00 0.00 H new ATOM 147 N CYS A 12 0.090 -1.306 3.916 1.00 0.00 N ATOM 148 CA CYS A 12 0.977 -2.039 3.020 1.00 0.00 C ATOM 149 C CYS A 12 1.000 -3.522 3.378 1.00 0.00 C ATOM 150 O CYS A 12 1.274 -3.889 4.521 1.00 0.00 O ATOM 151 CB CYS A 12 2.391 -1.461 3.089 1.00 0.00 C ATOM 152 SG CYS A 12 2.442 0.350 3.290 1.00 0.00 S ATOM 0 H CYS A 12 0.461 -1.169 4.856 1.00 0.00 H new ATOM 0 HA CYS A 12 0.600 -1.935 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.922 -1.924 3.921 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.928 -1.731 2.179 1.00 0.00 H new ATOM 157 N LEU A 13 0.708 -4.369 2.396 1.00 0.00 N ATOM 158 CA LEU A 13 0.693 -5.813 2.613 1.00 0.00 C ATOM 159 C LEU A 13 1.405 -6.544 1.481 1.00 0.00 C ATOM 160 O LEU A 13 1.444 -6.066 0.348 1.00 0.00 O ATOM 161 CB LEU A 13 -0.746 -6.318 2.731 1.00 0.00 C ATOM 162 CG LEU A 13 -1.610 -5.579 3.755 1.00 0.00 C ATOM 163 CD1 LEU A 13 -2.388 -4.457 3.085 1.00 0.00 C ATOM 164 CD2 LEU A 13 -2.557 -6.546 4.450 1.00 0.00 C ATOM 0 H LEU A 13 0.479 -4.082 1.444 1.00 0.00 H new ATOM 0 HA LEU A 13 1.223 -6.018 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.223 -6.242 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.723 -7.376 2.993 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.954 -5.140 4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.997 -3.942 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.692 -3.750 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.034 -4.873 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.164 -6.003 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.207 -7.014 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.980 -7.315 4.963 1.00 0.00 H new ATOM 176 N TYR A 14 1.964 -7.708 1.796 1.00 0.00 N ATOM 177 CA TYR A 14 2.675 -8.509 0.805 1.00 0.00 C ATOM 178 C TYR A 14 1.695 -9.255 -0.096 1.00 0.00 C ATOM 179 O TYR A 14 2.099 -9.929 -1.044 1.00 0.00 O ATOM 180 CB TYR A 14 3.609 -9.504 1.497 1.00 0.00 C ATOM 181 CG TYR A 14 4.378 -8.910 2.656 1.00 0.00 C ATOM 182 CD1 TYR A 14 5.551 -8.196 2.444 1.00 0.00 C ATOM 183 CD2 TYR A 14 3.931 -9.063 3.962 1.00 0.00 C ATOM 184 CE1 TYR A 14 6.256 -7.651 3.501 1.00 0.00 C ATOM 185 CE2 TYR A 14 4.630 -8.521 5.024 1.00 0.00 C ATOM 186 CZ TYR A 14 5.791 -7.817 4.788 1.00 0.00 C ATOM 187 OH TYR A 14 6.490 -7.276 5.843 1.00 0.00 O ATOM 0 H TYR A 14 1.939 -8.118 2.730 1.00 0.00 H new ATOM 0 HA TYR A 14 3.268 -7.835 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.023 -10.350 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.316 -9.895 0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.918 -8.065 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.022 -9.615 4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.166 -7.098 3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.268 -8.649 6.034 1.00 0.00 H new ATOM 0 HH TYR A 14 6.028 -7.483 6.682 1.00 0.00 H new ATOM 197 N SER A 15 0.406 -9.129 0.206 1.00 0.00 N ATOM 198 CA SER A 15 -0.633 -9.791 -0.576 1.00 0.00 C ATOM 199 C SER A 15 -1.629 -8.777 -1.132 1.00 0.00 C ATOM 200 O SER A 15 -1.564 -7.590 -0.810 1.00 0.00 O ATOM 201 CB SER A 15 -1.366 -10.824 0.281 1.00 0.00 C ATOM 202 OG SER A 15 -2.220 -11.631 -0.511 1.00 0.00 O ATOM 0 H SER A 15 0.056 -8.574 0.987 1.00 0.00 H new ATOM 0 HA SER A 15 -0.153 -10.297 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.641 -11.454 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.950 -10.316 1.049 1.00 0.00 H new ATOM 0 HG SER A 15 -2.675 -12.284 0.060 1.00 0.00 H new ATOM 208 N ALA A 16 -2.549 -9.254 -1.967 1.00 0.00 N ATOM 209 CA ALA A 16 -3.560 -8.393 -2.570 1.00 0.00 C ATOM 210 C ALA A 16 -4.337 -7.625 -1.508 1.00 0.00 C ATOM 211 O ALA A 16 -4.599 -8.141 -0.421 1.00 0.00 O ATOM 212 CB ALA A 16 -4.508 -9.216 -3.429 1.00 0.00 C ATOM 0 H ALA A 16 -2.614 -10.234 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.050 -7.666 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.258 -8.561 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.945 -9.712 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.002 -9.966 -2.810 1.00 0.00 H new ATOM 218 N CYS A 17 -4.696 -6.386 -1.835 1.00 0.00 N ATOM 219 CA CYS A 17 -5.441 -5.524 -0.921 1.00 0.00 C ATOM 220 C CYS A 17 -6.606 -6.269 -0.271 1.00 0.00 C ATOM 221 O CYS A 17 -7.301 -7.045 -0.927 1.00 0.00 O ATOM 222 CB CYS A 17 -5.964 -4.296 -1.666 1.00 0.00 C ATOM 223 SG CYS A 17 -4.655 -3.236 -2.356 1.00 0.00 S ATOM 0 H CYS A 17 -4.481 -5.954 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.759 -5.209 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.615 -4.625 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.576 -3.704 -0.985 1.00 0.00 H new ATOM 228 N PRO A 18 -6.838 -6.037 1.035 1.00 0.00 N ATOM 229 CA PRO A 18 -7.925 -6.687 1.768 1.00 0.00 C ATOM 230 C PRO A 18 -9.289 -6.072 1.449 1.00 0.00 C ATOM 231 O PRO A 18 -10.024 -6.586 0.606 1.00 0.00 O ATOM 232 CB PRO A 18 -7.549 -6.450 3.232 1.00 0.00 C ATOM 233 CG PRO A 18 -6.760 -5.184 3.224 1.00 0.00 C ATOM 234 CD PRO A 18 -6.057 -5.123 1.893 1.00 0.00 C ATOM 0 HA PRO A 18 -8.027 -7.741 1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.436 -6.359 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.963 -7.279 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.412 -4.321 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.041 -5.171 4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.048 -4.109 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.018 -5.443 1.975 1.00 0.00 H new ATOM 242 N ILE A 19 -9.618 -4.973 2.128 1.00 0.00 N ATOM 243 CA ILE A 19 -10.889 -4.282 1.921 1.00 0.00 C ATOM 244 C ILE A 19 -11.079 -3.875 0.453 1.00 0.00 C ATOM 245 O ILE A 19 -10.305 -4.273 -0.418 1.00 0.00 O ATOM 246 CB ILE A 19 -10.995 -3.047 2.841 1.00 0.00 C ATOM 247 CG1 ILE A 19 -12.459 -2.738 3.161 1.00 0.00 C ATOM 248 CG2 ILE A 19 -10.309 -1.835 2.224 1.00 0.00 C ATOM 249 CD1 ILE A 19 -12.922 -3.310 4.483 1.00 0.00 C ATOM 0 H ILE A 19 -9.017 -4.541 2.830 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.686 -4.979 2.178 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.480 -3.280 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.600 -1.657 3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.088 -3.133 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.402 -0.983 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.254 -2.057 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.780 -1.597 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.969 -3.052 4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.814 -4.394 4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.318 -2.896 5.290 1.00 0.00 H new ATOM 261 N PHE A 20 -12.115 -3.082 0.184 1.00 0.00 N ATOM 262 CA PHE A 20 -12.410 -2.629 -1.174 1.00 0.00 C ATOM 263 C PHE A 20 -11.369 -1.626 -1.683 1.00 0.00 C ATOM 264 O PHE A 20 -11.599 -0.936 -2.677 1.00 0.00 O ATOM 265 CB PHE A 20 -13.811 -2.006 -1.226 1.00 0.00 C ATOM 266 CG PHE A 20 -13.869 -0.581 -0.744 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.601 -0.268 0.580 1.00 0.00 C ATOM 268 CD2 PHE A 20 -14.191 0.444 -1.618 1.00 0.00 C ATOM 269 CE1 PHE A 20 -13.655 1.041 1.022 1.00 0.00 C ATOM 270 CE2 PHE A 20 -14.246 1.754 -1.182 1.00 0.00 C ATOM 271 CZ PHE A 20 -13.977 2.053 0.139 1.00 0.00 C ATOM 0 H PHE A 20 -12.766 -2.739 0.891 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.373 -3.500 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.177 -2.046 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.488 -2.610 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -13.347 -1.056 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.402 0.217 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.446 1.272 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -14.499 2.544 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.018 3.077 0.481 1.00 0.00 H new ATOM 281 N THR A 21 -10.226 -1.553 -1.005 1.00 0.00 N ATOM 282 CA THR A 21 -9.159 -0.637 -1.399 1.00 0.00 C ATOM 283 C THR A 21 -8.615 -0.983 -2.783 1.00 0.00 C ATOM 284 O THR A 21 -9.156 -1.845 -3.477 1.00 0.00 O ATOM 285 CB THR A 21 -7.999 -0.658 -0.388 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.946 -1.928 0.273 1.00 0.00 O ATOM 287 CG2 THR A 21 -8.159 0.450 0.642 1.00 0.00 C ATOM 0 H THR A 21 -10.015 -2.116 -0.181 1.00 0.00 H new ATOM 0 HA THR A 21 -9.596 0.361 -1.422 1.00 0.00 H new ATOM 0 HB THR A 21 -7.069 -0.495 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.414 -1.848 1.092 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.327 0.415 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.168 1.417 0.138 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.097 0.313 1.181 1.00 0.00 H new ATOM 295 N LYS A 22 -7.539 -0.308 -3.180 1.00 0.00 N ATOM 296 CA LYS A 22 -6.926 -0.550 -4.482 1.00 0.00 C ATOM 297 C LYS A 22 -5.432 -0.244 -4.450 1.00 0.00 C ATOM 298 O LYS A 22 -5.024 0.890 -4.203 1.00 0.00 O ATOM 299 CB LYS A 22 -7.612 0.292 -5.563 1.00 0.00 C ATOM 300 CG LYS A 22 -7.688 1.774 -5.231 1.00 0.00 C ATOM 301 CD LYS A 22 -8.991 2.123 -4.530 1.00 0.00 C ATOM 302 CE LYS A 22 -10.117 2.346 -5.527 1.00 0.00 C ATOM 303 NZ LYS A 22 -11.441 2.455 -4.853 1.00 0.00 N ATOM 0 H LYS A 22 -7.076 0.408 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.055 -1.606 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.075 0.167 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.622 -0.088 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.847 2.049 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.599 2.358 -6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.264 1.320 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.853 3.022 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.923 3.255 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.139 1.522 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.182 2.607 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.638 1.578 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.429 3.257 -4.191 1.00 0.00 H new ATOM 317 N ILE A 23 -4.621 -1.267 -4.701 1.00 0.00 N ATOM 318 CA ILE A 23 -3.170 -1.111 -4.702 1.00 0.00 C ATOM 319 C ILE A 23 -2.727 -0.178 -5.828 1.00 0.00 C ATOM 320 O ILE A 23 -2.980 -0.442 -7.004 1.00 0.00 O ATOM 321 CB ILE A 23 -2.451 -2.477 -4.842 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.035 -2.290 -5.414 1.00 0.00 C ATOM 323 CG2 ILE A 23 -3.270 -3.425 -5.713 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.406 -3.565 -5.942 1.00 0.00 C ATOM 0 H ILE A 23 -4.944 -2.213 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.891 -0.673 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.358 -2.921 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.074 -1.557 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.393 -1.876 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.750 -4.379 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.247 -3.585 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.398 -2.989 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.590 -3.347 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.332 -4.295 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.024 -3.971 -6.743 1.00 0.00 H new ATOM 336 N GLN A 24 -2.063 0.912 -5.456 1.00 0.00 N ATOM 337 CA GLN A 24 -1.581 1.886 -6.429 1.00 0.00 C ATOM 338 C GLN A 24 -0.188 1.507 -6.921 1.00 0.00 C ATOM 339 O GLN A 24 0.193 1.822 -8.049 1.00 0.00 O ATOM 340 CB GLN A 24 -1.553 3.283 -5.807 1.00 0.00 C ATOM 341 CG GLN A 24 -2.418 4.300 -6.538 1.00 0.00 C ATOM 342 CD GLN A 24 -3.878 3.892 -6.615 1.00 0.00 C ATOM 343 OE1 GLN A 24 -4.599 4.300 -7.526 1.00 0.00 O ATOM 344 NE2 GLN A 24 -4.324 3.085 -5.658 1.00 0.00 N ATOM 0 H GLN A 24 -1.846 1.143 -4.486 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.262 1.889 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.885 3.216 -4.771 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.524 3.642 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.342 5.263 -6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.032 4.438 -7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.693 2.770 -4.921 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.297 2.780 -5.660 1.00 0.00 H new ATOM 353 N GLY A 25 0.566 0.828 -6.063 1.00 0.00 N ATOM 354 CA GLY A 25 1.910 0.411 -6.416 1.00 0.00 C ATOM 355 C GLY A 25 2.566 -0.401 -5.316 1.00 0.00 C ATOM 356 O GLY A 25 1.975 -1.350 -4.801 1.00 0.00 O ATOM 0 H GLY A 25 0.268 0.558 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.876 -0.180 -7.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.518 1.291 -6.627 1.00 0.00 H new ATOM 360 N THR A 26 3.789 -0.025 -4.953 1.00 0.00 N ATOM 361 CA THR A 26 4.523 -0.724 -3.904 1.00 0.00 C ATOM 362 C THR A 26 4.794 0.196 -2.720 1.00 0.00 C ATOM 363 O THR A 26 5.006 1.396 -2.888 1.00 0.00 O ATOM 364 CB THR A 26 5.860 -1.284 -4.427 1.00 0.00 C ATOM 365 OG1 THR A 26 6.319 -0.503 -5.536 1.00 0.00 O ATOM 366 CG2 THR A 26 5.707 -2.737 -4.853 1.00 0.00 C ATOM 0 H THR A 26 4.292 0.759 -5.369 1.00 0.00 H new ATOM 0 HA THR A 26 3.897 -1.555 -3.579 1.00 0.00 H new ATOM 0 HB THR A 26 6.591 -1.232 -3.620 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.170 -0.865 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.663 -3.112 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.386 -3.334 -4.000 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.963 -2.807 -5.646 1.00 0.00 H new ATOM 374 N CYS A 27 4.781 -0.378 -1.523 1.00 0.00 N ATOM 375 CA CYS A 27 5.022 0.385 -0.304 1.00 0.00 C ATOM 376 C CYS A 27 6.489 0.316 0.097 1.00 0.00 C ATOM 377 O CYS A 27 7.253 1.254 -0.134 1.00 0.00 O ATOM 378 CB CYS A 27 4.153 -0.151 0.834 1.00 0.00 C ATOM 379 SG CYS A 27 4.139 0.902 2.320 1.00 0.00 S ATOM 0 H CYS A 27 4.606 -1.371 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 27 4.762 1.425 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.131 -0.265 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.506 -1.145 1.109 1.00 0.00 H new ATOM 384 N TYR A 28 6.872 -0.803 0.701 1.00 0.00 N ATOM 385 CA TYR A 28 8.247 -1.008 1.141 1.00 0.00 C ATOM 386 C TYR A 28 9.216 -0.940 -0.038 1.00 0.00 C ATOM 387 O TYR A 28 8.812 -0.677 -1.171 1.00 0.00 O ATOM 388 CB TYR A 28 8.377 -2.358 1.852 1.00 0.00 C ATOM 389 CG TYR A 28 7.575 -2.453 3.134 1.00 0.00 C ATOM 390 CD1 TYR A 28 7.515 -1.386 4.024 1.00 0.00 C ATOM 391 CD2 TYR A 28 6.876 -3.610 3.453 1.00 0.00 C ATOM 392 CE1 TYR A 28 6.783 -1.471 5.193 1.00 0.00 C ATOM 393 CE2 TYR A 28 6.140 -3.703 4.619 1.00 0.00 C ATOM 394 CZ TYR A 28 6.097 -2.631 5.486 1.00 0.00 C ATOM 395 OH TYR A 28 5.366 -2.719 6.648 1.00 0.00 O ATOM 0 H TYR A 28 6.247 -1.585 0.898 1.00 0.00 H new ATOM 0 HA TYR A 28 8.503 -0.211 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.055 -3.148 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.428 -2.540 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.050 -0.475 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.908 -4.452 2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.748 -0.633 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.601 -4.610 4.850 1.00 0.00 H new ATOM 0 HH TYR A 28 4.943 -3.601 6.702 1.00 0.00 H new ATOM 405 N ARG A 29 10.495 -1.177 0.239 1.00 0.00 N ATOM 406 CA ARG A 29 11.527 -1.144 -0.794 1.00 0.00 C ATOM 407 C ARG A 29 11.131 -1.995 -1.998 1.00 0.00 C ATOM 408 O ARG A 29 11.599 -1.766 -3.114 1.00 0.00 O ATOM 409 CB ARG A 29 12.860 -1.632 -0.226 1.00 0.00 C ATOM 410 CG ARG A 29 13.497 -0.657 0.751 1.00 0.00 C ATOM 411 CD ARG A 29 14.586 0.167 0.084 1.00 0.00 C ATOM 412 NE ARG A 29 15.330 0.975 1.046 1.00 0.00 N ATOM 413 CZ ARG A 29 15.387 2.303 1.008 1.00 0.00 C ATOM 414 NH1 ARG A 29 14.745 2.973 0.060 1.00 0.00 N ATOM 415 NH2 ARG A 29 16.088 2.963 1.920 1.00 0.00 N ATOM 0 H ARG A 29 10.843 -1.395 1.173 1.00 0.00 H new ATOM 0 HA ARG A 29 11.635 -0.112 -1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.704 -2.587 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.552 -1.813 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.733 0.007 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.919 -1.207 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.274 -0.497 -0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.139 0.818 -0.667 1.00 0.00 H new ATOM 0 HE ARG A 29 15.835 0.493 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.205 2.470 -0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.792 3.992 0.035 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.583 2.452 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.132 3.982 1.891 1.00 0.00 H new ATOM 429 N GLY A 30 10.264 -2.975 -1.763 1.00 0.00 N ATOM 430 CA GLY A 30 9.815 -3.845 -2.834 1.00 0.00 C ATOM 431 C GLY A 30 9.386 -5.207 -2.328 1.00 0.00 C ATOM 432 O GLY A 30 9.550 -6.213 -3.017 1.00 0.00 O ATOM 0 H GLY A 30 9.864 -3.182 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.981 -3.375 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.618 -3.967 -3.561 1.00 0.00 H new ATOM 436 N LYS A 31 8.836 -5.237 -1.118 1.00 0.00 N ATOM 437 CA LYS A 31 8.381 -6.484 -0.515 1.00 0.00 C ATOM 438 C LYS A 31 6.860 -6.516 -0.412 1.00 0.00 C ATOM 439 O LYS A 31 6.240 -7.568 -0.571 1.00 0.00 O ATOM 440 CB LYS A 31 8.999 -6.662 0.873 1.00 0.00 C ATOM 441 CG LYS A 31 10.463 -6.261 0.945 1.00 0.00 C ATOM 442 CD LYS A 31 11.031 -6.484 2.337 1.00 0.00 C ATOM 443 CE LYS A 31 11.761 -5.251 2.847 1.00 0.00 C ATOM 444 NZ LYS A 31 10.972 -4.007 2.630 1.00 0.00 N ATOM 0 H LYS A 31 8.695 -4.411 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 31 8.703 -7.304 -1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.433 -6.069 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.902 -7.705 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.036 -6.839 0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.568 -5.211 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.224 -6.740 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.716 -7.332 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.970 -5.367 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.722 -5.164 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.134 -3.351 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.270 -3.558 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.960 -4.242 2.577 1.00 0.00 H new ATOM 458 N ALA A 32 6.263 -5.358 -0.144 1.00 0.00 N ATOM 459 CA ALA A 32 4.815 -5.257 -0.020 1.00 0.00 C ATOM 460 C ALA A 32 4.271 -4.138 -0.891 1.00 0.00 C ATOM 461 O ALA A 32 4.976 -3.178 -1.199 1.00 0.00 O ATOM 462 CB ALA A 32 4.421 -5.036 1.432 1.00 0.00 C ATOM 0 H ALA A 32 6.761 -4.478 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 32 4.380 -6.196 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.336 -4.963 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.771 -5.874 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.873 -4.113 1.795 1.00 0.00 H new ATOM 468 N LYS A 33 3.014 -4.275 -1.288 1.00 0.00 N ATOM 469 CA LYS A 33 2.363 -3.281 -2.129 1.00 0.00 C ATOM 470 C LYS A 33 1.619 -2.255 -1.283 1.00 0.00 C ATOM 471 O LYS A 33 1.063 -2.583 -0.234 1.00 0.00 O ATOM 472 CB LYS A 33 1.392 -3.964 -3.094 1.00 0.00 C ATOM 473 CG LYS A 33 0.566 -5.066 -2.449 1.00 0.00 C ATOM 474 CD LYS A 33 -0.924 -4.800 -2.587 1.00 0.00 C ATOM 475 CE LYS A 33 -1.415 -3.817 -1.538 1.00 0.00 C ATOM 476 NZ LYS A 33 -1.881 -4.507 -0.304 1.00 0.00 N ATOM 0 H LYS A 33 2.423 -5.068 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 33 3.132 -2.762 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.720 -3.214 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.956 -4.384 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.810 -6.023 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.826 -5.146 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.134 -4.407 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.472 -5.738 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.612 -3.125 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.230 -3.223 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.856 -4.216 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.851 -5.536 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.261 -4.252 0.491 1.00 0.00 H new ATOM 490 N CYS A 34 1.614 -1.011 -1.749 1.00 0.00 N ATOM 491 CA CYS A 34 0.937 0.069 -1.041 1.00 0.00 C ATOM 492 C CYS A 34 -0.521 0.161 -1.478 1.00 0.00 C ATOM 493 O CYS A 34 -0.819 0.217 -2.671 1.00 0.00 O ATOM 494 CB CYS A 34 1.652 1.400 -1.290 1.00 0.00 C ATOM 495 SG CYS A 34 0.537 2.822 -1.525 1.00 0.00 S ATOM 0 H CYS A 34 2.072 -0.725 -2.615 1.00 0.00 H new ATOM 0 HA CYS A 34 0.965 -0.147 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.312 1.607 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.284 1.299 -2.173 1.00 0.00 H new ATOM 500 N CYS A 35 -1.427 0.165 -0.505 1.00 0.00 N ATOM 501 CA CYS A 35 -2.854 0.239 -0.791 1.00 0.00 C ATOM 502 C CYS A 35 -3.526 1.327 0.037 1.00 0.00 C ATOM 503 O CYS A 35 -3.094 1.635 1.148 1.00 0.00 O ATOM 504 CB CYS A 35 -3.516 -1.112 -0.514 1.00 0.00 C ATOM 505 SG CYS A 35 -5.005 -1.426 -1.513 1.00 0.00 S ATOM 0 H CYS A 35 -1.198 0.118 0.488 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.975 0.490 -1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.792 -1.905 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.782 -1.165 0.542 1.00 0.00 H new ATOM 510 N LYS A 36 -4.587 1.905 -0.517 1.00 0.00 N ATOM 511 CA LYS A 36 -5.328 2.962 0.163 1.00 0.00 C ATOM 512 C LYS A 36 -6.639 3.261 -0.559 1.00 0.00 C ATOM 513 O LYS A 36 -7.494 3.955 0.030 1.00 0.00 O ATOM 514 CB LYS A 36 -4.477 4.233 0.261 1.00 0.00 C ATOM 515 CG LYS A 36 -4.422 5.041 -1.025 1.00 0.00 C ATOM 516 CD LYS A 36 -3.148 4.759 -1.803 1.00 0.00 C ATOM 517 CE LYS A 36 -3.347 3.629 -2.798 1.00 0.00 C ATOM 518 NZ LYS A 36 -2.243 2.632 -2.734 1.00 0.00 N ATOM 519 OXT LYS A 36 -6.799 2.797 -1.708 1.00 0.00 O ATOM 0 H LYS A 36 -4.954 1.659 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.563 2.616 1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.874 4.863 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.462 3.957 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.288 4.803 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.480 6.104 -0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.835 5.660 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.347 4.500 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.297 3.132 -2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.408 4.039 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.571 1.725 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.433 2.975 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.952 2.499 -1.744 1.00 0.00 H new TER 533 LYS A 36