USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 255 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 24 GLN : amide:sc= -0.304 K(o=-0.42,f=-2.2!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 176:sc= -0.119 (180deg=-0.246) USER MOD Single : A 2 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.887 K(o=-0.89,f=-1.8) USER MOD Single : A 7 SER OG : rot 180:sc= -0.107 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 97:sc= 0.0635 USER MOD Single : A 22 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.196) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0713) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N HIS A 2 7.743 6.243 0.184 1.00 0.00 N ATOM 16 CA HIS A 2 6.429 5.995 0.765 1.00 0.00 C ATOM 17 C HIS A 2 5.340 6.692 -0.046 1.00 0.00 C ATOM 18 O HIS A 2 5.205 7.915 -0.002 1.00 0.00 O ATOM 19 CB HIS A 2 6.400 6.475 2.220 1.00 0.00 C ATOM 20 CG HIS A 2 5.025 6.567 2.809 1.00 0.00 C ATOM 21 ND1 HIS A 2 4.590 7.663 3.523 1.00 0.00 N ATOM 22 CD2 HIS A 2 3.987 5.696 2.791 1.00 0.00 C ATOM 23 CE1 HIS A 2 3.346 7.462 3.920 1.00 0.00 C ATOM 24 NE2 HIS A 2 2.957 6.277 3.489 1.00 0.00 N ATOM 0 HA HIS A 2 6.236 4.922 0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.998 5.796 2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.874 7.455 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.973 4.726 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.749 8.151 4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 2 2.040 5.860 3.648 1.00 0.00 H new ATOM 33 N TYR A 3 4.565 5.902 -0.783 1.00 0.00 N ATOM 34 CA TYR A 3 3.484 6.436 -1.603 1.00 0.00 C ATOM 35 C TYR A 3 2.420 7.090 -0.729 1.00 0.00 C ATOM 36 O TYR A 3 2.413 6.914 0.488 1.00 0.00 O ATOM 37 CB TYR A 3 2.858 5.316 -2.437 1.00 0.00 C ATOM 38 CG TYR A 3 2.381 5.761 -3.800 1.00 0.00 C ATOM 39 CD1 TYR A 3 3.256 5.820 -4.877 1.00 0.00 C ATOM 40 CD2 TYR A 3 1.055 6.120 -4.010 1.00 0.00 C ATOM 41 CE1 TYR A 3 2.823 6.224 -6.125 1.00 0.00 C ATOM 42 CE2 TYR A 3 0.615 6.525 -5.254 1.00 0.00 C ATOM 43 CZ TYR A 3 1.503 6.575 -6.309 1.00 0.00 C ATOM 44 OH TYR A 3 1.068 6.978 -7.550 1.00 0.00 O ATOM 0 H TYR A 3 4.666 4.888 -0.829 1.00 0.00 H new ATOM 0 HA TYR A 3 3.897 7.192 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.589 4.517 -2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.016 4.895 -1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.291 5.546 -4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.357 6.081 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.516 6.265 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -0.419 6.801 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 3 0.112 7.189 -7.509 1.00 0.00 H new ATOM 54 N ASN A 4 1.517 7.840 -1.352 1.00 0.00 N ATOM 55 CA ASN A 4 0.451 8.503 -0.613 1.00 0.00 C ATOM 56 C ASN A 4 -0.671 7.523 -0.315 1.00 0.00 C ATOM 57 O ASN A 4 -1.718 7.531 -0.964 1.00 0.00 O ATOM 58 CB ASN A 4 -0.081 9.709 -1.392 1.00 0.00 C ATOM 59 CG ASN A 4 -0.461 10.867 -0.488 1.00 0.00 C ATOM 60 OD1 ASN A 4 -1.547 11.432 -0.612 1.00 0.00 O ATOM 61 ND2 ASN A 4 0.436 11.235 0.423 1.00 0.00 N ATOM 0 H ASN A 4 1.502 8.003 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 4 0.859 8.863 0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.676 10.041 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.952 9.406 -1.973 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.235 12.012 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.325 10.740 0.493 1.00 0.00 H new ATOM 68 N CYS A 5 -0.429 6.676 0.675 1.00 0.00 N ATOM 69 CA CYS A 5 -1.395 5.665 1.089 1.00 0.00 C ATOM 70 C CYS A 5 -2.130 6.108 2.348 1.00 0.00 C ATOM 71 O CYS A 5 -3.344 6.313 2.333 1.00 0.00 O ATOM 72 CB CYS A 5 -0.679 4.338 1.340 1.00 0.00 C ATOM 73 SG CYS A 5 1.057 4.327 0.788 1.00 0.00 S ATOM 0 H CYS A 5 0.438 6.669 1.213 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.127 5.534 0.292 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.714 4.113 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.219 3.541 0.828 1.00 0.00 H new ATOM 78 N VAL A 6 -1.378 6.260 3.435 1.00 0.00 N ATOM 79 CA VAL A 6 -1.939 6.688 4.712 1.00 0.00 C ATOM 80 C VAL A 6 -2.716 7.996 4.562 1.00 0.00 C ATOM 81 O VAL A 6 -3.509 8.362 5.431 1.00 0.00 O ATOM 82 CB VAL A 6 -0.830 6.872 5.770 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.155 7.946 5.334 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.428 7.210 7.126 1.00 0.00 C ATOM 0 H VAL A 6 -0.372 6.092 3.456 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.622 5.905 5.043 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.290 5.930 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.929 8.060 6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.614 7.656 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.371 8.892 5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.628 7.335 7.856 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.999 8.135 7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.087 6.402 7.445 1.00 0.00 H new ATOM 94 N SER A 7 -2.472 8.691 3.452 1.00 0.00 N ATOM 95 CA SER A 7 -3.129 9.965 3.162 1.00 0.00 C ATOM 96 C SER A 7 -4.591 9.965 3.603 1.00 0.00 C ATOM 97 O SER A 7 -5.047 10.898 4.266 1.00 0.00 O ATOM 98 CB SER A 7 -3.039 10.270 1.666 1.00 0.00 C ATOM 99 OG SER A 7 -4.311 10.184 1.047 1.00 0.00 O ATOM 0 H SER A 7 -1.816 8.389 2.731 1.00 0.00 H new ATOM 0 HA SER A 7 -2.611 10.739 3.728 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.628 11.269 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.352 9.570 1.190 1.00 0.00 H new ATOM 0 HG SER A 7 -4.224 10.385 0.092 1.00 0.00 H new ATOM 105 N SER A 8 -5.321 8.919 3.231 1.00 0.00 N ATOM 106 CA SER A 8 -6.730 8.808 3.591 1.00 0.00 C ATOM 107 C SER A 8 -6.946 7.715 4.633 1.00 0.00 C ATOM 108 O SER A 8 -7.874 7.788 5.438 1.00 0.00 O ATOM 109 CB SER A 8 -7.574 8.518 2.348 1.00 0.00 C ATOM 110 OG SER A 8 -8.601 9.482 2.194 1.00 0.00 O ATOM 0 H SER A 8 -4.962 8.138 2.682 1.00 0.00 H new ATOM 0 HA SER A 8 -7.043 9.759 4.022 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.937 8.516 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.013 7.523 2.426 1.00 0.00 H new ATOM 0 HG SER A 8 -9.125 9.276 1.392 1.00 0.00 H new ATOM 116 N GLY A 9 -6.085 6.703 4.611 1.00 0.00 N ATOM 117 CA GLY A 9 -6.200 5.608 5.558 1.00 0.00 C ATOM 118 C GLY A 9 -5.856 4.269 4.938 1.00 0.00 C ATOM 119 O GLY A 9 -6.569 3.285 5.132 1.00 0.00 O ATOM 0 H GLY A 9 -5.309 6.621 3.954 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.540 5.793 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.217 5.574 5.948 1.00 0.00 H new ATOM 123 N GLY A 10 -4.758 4.234 4.189 1.00 0.00 N ATOM 124 CA GLY A 10 -4.338 3.003 3.546 1.00 0.00 C ATOM 125 C GLY A 10 -3.265 2.273 4.331 1.00 0.00 C ATOM 126 O GLY A 10 -2.702 2.820 5.279 1.00 0.00 O ATOM 0 H GLY A 10 -4.152 5.036 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.201 2.349 3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.963 3.228 2.548 1.00 0.00 H new ATOM 130 N GLN A 11 -2.983 1.035 3.933 1.00 0.00 N ATOM 131 CA GLN A 11 -1.971 0.226 4.603 1.00 0.00 C ATOM 132 C GLN A 11 -1.206 -0.622 3.593 1.00 0.00 C ATOM 133 O GLN A 11 -1.754 -1.027 2.568 1.00 0.00 O ATOM 134 CB GLN A 11 -2.619 -0.678 5.655 1.00 0.00 C ATOM 135 CG GLN A 11 -3.321 0.086 6.767 1.00 0.00 C ATOM 136 CD GLN A 11 -3.167 -0.580 8.121 1.00 0.00 C ATOM 137 OE1 GLN A 11 -3.339 -1.792 8.253 1.00 0.00 O ATOM 138 NE2 GLN A 11 -2.842 0.213 9.136 1.00 0.00 N ATOM 0 H GLN A 11 -3.442 0.571 3.149 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.271 0.900 5.097 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.340 -1.333 5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.853 -1.318 6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.920 1.098 6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.381 0.175 6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.709 1.212 8.980 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.725 -0.177 10.071 1.00 0.00 H new ATOM 147 N CYS A 12 0.063 -0.886 3.887 1.00 0.00 N ATOM 148 CA CYS A 12 0.899 -1.685 2.999 1.00 0.00 C ATOM 149 C CYS A 12 1.068 -3.104 3.529 1.00 0.00 C ATOM 150 O CYS A 12 1.497 -3.308 4.664 1.00 0.00 O ATOM 151 CB CYS A 12 2.269 -1.034 2.822 1.00 0.00 C ATOM 152 SG CYS A 12 2.478 0.530 3.740 1.00 0.00 S ATOM 0 H CYS A 12 0.534 -0.559 4.731 1.00 0.00 H new ATOM 0 HA CYS A 12 0.399 -1.735 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.037 -1.737 3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.435 -0.845 1.761 1.00 0.00 H new ATOM 157 N LEU A 13 0.731 -4.079 2.693 1.00 0.00 N ATOM 158 CA LEU A 13 0.849 -5.483 3.064 1.00 0.00 C ATOM 159 C LEU A 13 1.747 -6.220 2.077 1.00 0.00 C ATOM 160 O LEU A 13 1.731 -5.936 0.880 1.00 0.00 O ATOM 161 CB LEU A 13 -0.532 -6.142 3.110 1.00 0.00 C ATOM 162 CG LEU A 13 -1.619 -5.324 3.810 1.00 0.00 C ATOM 163 CD1 LEU A 13 -2.906 -5.345 3.000 1.00 0.00 C ATOM 164 CD2 LEU A 13 -1.864 -5.855 5.213 1.00 0.00 C ATOM 0 H LEU A 13 0.373 -3.922 1.751 1.00 0.00 H new ATOM 0 HA LEU A 13 1.297 -5.540 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.854 -6.346 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.442 -7.104 3.614 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.278 -4.292 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.668 -4.758 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.722 -4.919 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.251 -6.373 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.640 -5.261 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.185 -6.895 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.943 -5.789 5.793 1.00 0.00 H new ATOM 176 N TYR A 14 2.531 -7.165 2.585 1.00 0.00 N ATOM 177 CA TYR A 14 3.440 -7.938 1.744 1.00 0.00 C ATOM 178 C TYR A 14 2.679 -8.710 0.671 1.00 0.00 C ATOM 179 O TYR A 14 3.277 -9.258 -0.255 1.00 0.00 O ATOM 180 CB TYR A 14 4.263 -8.899 2.601 1.00 0.00 C ATOM 181 CG TYR A 14 5.489 -8.259 3.209 1.00 0.00 C ATOM 182 CD1 TYR A 14 5.394 -7.494 4.364 1.00 0.00 C ATOM 183 CD2 TYR A 14 6.740 -8.414 2.626 1.00 0.00 C ATOM 184 CE1 TYR A 14 6.511 -6.902 4.922 1.00 0.00 C ATOM 185 CE2 TYR A 14 7.862 -7.824 3.177 1.00 0.00 C ATOM 186 CZ TYR A 14 7.741 -7.070 4.325 1.00 0.00 C ATOM 187 OH TYR A 14 8.855 -6.479 4.875 1.00 0.00 O ATOM 0 H TYR A 14 2.556 -7.414 3.574 1.00 0.00 H new ATOM 0 HA TYR A 14 4.112 -7.240 1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.634 -9.292 3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.570 -9.748 1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.431 -7.359 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.838 -9.005 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.420 -6.311 5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.828 -7.953 2.711 1.00 0.00 H new ATOM 0 HH TYR A 14 9.642 -6.697 4.333 1.00 0.00 H new ATOM 197 N SER A 15 1.356 -8.743 0.797 1.00 0.00 N ATOM 198 CA SER A 15 0.511 -9.440 -0.166 1.00 0.00 C ATOM 199 C SER A 15 -0.370 -8.453 -0.928 1.00 0.00 C ATOM 200 O SER A 15 -0.658 -7.360 -0.440 1.00 0.00 O ATOM 201 CB SER A 15 -0.361 -10.477 0.545 1.00 0.00 C ATOM 202 OG SER A 15 -0.244 -11.749 -0.069 1.00 0.00 O ATOM 0 H SER A 15 0.846 -8.294 1.558 1.00 0.00 H new ATOM 0 HA SER A 15 1.158 -9.949 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.067 -10.547 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.402 -10.155 0.527 1.00 0.00 H new ATOM 0 HG SER A 15 -0.809 -12.394 0.405 1.00 0.00 H new ATOM 208 N ALA A 16 -0.795 -8.849 -2.126 1.00 0.00 N ATOM 209 CA ALA A 16 -1.647 -8.006 -2.960 1.00 0.00 C ATOM 210 C ALA A 16 -2.901 -7.578 -2.213 1.00 0.00 C ATOM 211 O ALA A 16 -3.315 -8.221 -1.248 1.00 0.00 O ATOM 212 CB ALA A 16 -2.024 -8.741 -4.237 1.00 0.00 C ATOM 0 H ALA A 16 -0.562 -9.751 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.084 -7.109 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.659 -8.102 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.120 -8.994 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.563 -9.654 -3.985 1.00 0.00 H new ATOM 218 N CYS A 17 -3.494 -6.484 -2.674 1.00 0.00 N ATOM 219 CA CYS A 17 -4.708 -5.942 -2.070 1.00 0.00 C ATOM 220 C CYS A 17 -5.724 -7.049 -1.781 1.00 0.00 C ATOM 221 O CYS A 17 -6.274 -7.650 -2.704 1.00 0.00 O ATOM 222 CB CYS A 17 -5.331 -4.899 -2.998 1.00 0.00 C ATOM 223 SG CYS A 17 -5.593 -3.271 -2.225 1.00 0.00 S ATOM 0 H CYS A 17 -3.151 -5.949 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.435 -5.473 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.689 -4.775 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.288 -5.276 -3.358 1.00 0.00 H new ATOM 228 N PRO A 18 -5.986 -7.337 -0.491 1.00 0.00 N ATOM 229 CA PRO A 18 -6.931 -8.372 -0.091 1.00 0.00 C ATOM 230 C PRO A 18 -8.363 -7.851 0.019 1.00 0.00 C ATOM 231 O PRO A 18 -9.210 -8.164 -0.819 1.00 0.00 O ATOM 232 CB PRO A 18 -6.404 -8.802 1.277 1.00 0.00 C ATOM 233 CG PRO A 18 -5.690 -7.606 1.830 1.00 0.00 C ATOM 234 CD PRO A 18 -5.379 -6.680 0.679 1.00 0.00 C ATOM 0 HA PRO A 18 -6.990 -9.181 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.219 -9.109 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.730 -9.654 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.310 -7.100 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.773 -7.909 2.335 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.801 -5.688 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.304 -6.552 0.550 1.00 0.00 H new ATOM 242 N ILE A 19 -8.626 -7.062 1.059 1.00 0.00 N ATOM 243 CA ILE A 19 -9.951 -6.494 1.288 1.00 0.00 C ATOM 244 C ILE A 19 -10.434 -5.683 0.079 1.00 0.00 C ATOM 245 O ILE A 19 -9.827 -5.725 -0.991 1.00 0.00 O ATOM 246 CB ILE A 19 -9.956 -5.622 2.561 1.00 0.00 C ATOM 247 CG1 ILE A 19 -11.350 -5.594 3.192 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.470 -4.210 2.264 1.00 0.00 C ATOM 249 CD1 ILE A 19 -11.333 -5.311 4.679 1.00 0.00 C ATOM 0 H ILE A 19 -7.933 -6.801 1.760 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.645 -7.323 1.429 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.265 -6.069 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.951 -4.835 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.838 -6.553 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.485 -3.620 3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.453 -4.250 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.124 -3.748 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.354 -5.306 5.060 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.759 -6.084 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.874 -4.339 4.859 1.00 0.00 H new ATOM 261 N PHE A 20 -11.532 -4.949 0.251 1.00 0.00 N ATOM 262 CA PHE A 20 -12.093 -4.141 -0.829 1.00 0.00 C ATOM 263 C PHE A 20 -11.294 -2.856 -1.053 1.00 0.00 C ATOM 264 O PHE A 20 -11.863 -1.813 -1.377 1.00 0.00 O ATOM 265 CB PHE A 20 -13.557 -3.798 -0.531 1.00 0.00 C ATOM 266 CG PHE A 20 -13.806 -3.366 0.889 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.377 -2.126 1.338 1.00 0.00 C ATOM 268 CD2 PHE A 20 -14.474 -4.199 1.772 1.00 0.00 C ATOM 269 CE1 PHE A 20 -13.607 -1.728 2.642 1.00 0.00 C ATOM 270 CE2 PHE A 20 -14.706 -3.806 3.077 1.00 0.00 C ATOM 271 CZ PHE A 20 -14.273 -2.569 3.512 1.00 0.00 C ATOM 0 H PHE A 20 -12.050 -4.898 1.128 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.037 -4.733 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.878 -3.003 -1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.175 -4.669 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.857 -1.464 0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.817 -5.167 1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.266 -0.760 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -15.226 -4.466 3.756 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.455 -2.260 4.531 1.00 0.00 H new ATOM 281 N THR A 21 -9.975 -2.934 -0.892 1.00 0.00 N ATOM 282 CA THR A 21 -9.113 -1.773 -1.093 1.00 0.00 C ATOM 283 C THR A 21 -8.685 -1.664 -2.552 1.00 0.00 C ATOM 284 O THR A 21 -9.310 -2.251 -3.435 1.00 0.00 O ATOM 285 CB THR A 21 -7.858 -1.833 -0.202 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.577 -3.188 0.165 1.00 0.00 O ATOM 287 CG2 THR A 21 -8.041 -0.987 1.049 1.00 0.00 C ATOM 0 H THR A 21 -9.482 -3.786 -0.624 1.00 0.00 H new ATOM 0 HA THR A 21 -9.695 -0.894 -0.815 1.00 0.00 H new ATOM 0 HB THR A 21 -7.018 -1.434 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.903 -3.559 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.142 -1.045 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.219 0.050 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.893 -1.359 1.618 1.00 0.00 H new ATOM 295 N LYS A 22 -7.618 -0.909 -2.802 1.00 0.00 N ATOM 296 CA LYS A 22 -7.115 -0.728 -4.159 1.00 0.00 C ATOM 297 C LYS A 22 -5.645 -0.318 -4.148 1.00 0.00 C ATOM 298 O LYS A 22 -5.313 0.837 -3.876 1.00 0.00 O ATOM 299 CB LYS A 22 -7.955 0.322 -4.894 1.00 0.00 C ATOM 300 CG LYS A 22 -7.313 0.848 -6.169 1.00 0.00 C ATOM 301 CD LYS A 22 -7.329 2.367 -6.210 1.00 0.00 C ATOM 302 CE LYS A 22 -7.564 2.887 -7.619 1.00 0.00 C ATOM 303 NZ LYS A 22 -6.304 3.362 -8.253 1.00 0.00 N ATOM 0 H LYS A 22 -7.087 -0.415 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.195 -1.680 -4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.925 -0.111 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.141 1.159 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.285 0.491 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.844 0.453 -7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.110 2.741 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.381 2.752 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.002 2.097 -8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.285 3.704 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.459 3.500 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.016 4.263 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.555 2.655 -8.109 1.00 0.00 H new ATOM 317 N ILE A 23 -4.768 -1.273 -4.448 1.00 0.00 N ATOM 318 CA ILE A 23 -3.334 -1.014 -4.479 1.00 0.00 C ATOM 319 C ILE A 23 -2.966 -0.120 -5.657 1.00 0.00 C ATOM 320 O ILE A 23 -3.378 -0.365 -6.792 1.00 0.00 O ATOM 321 CB ILE A 23 -2.520 -2.326 -4.566 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.076 -2.047 -4.996 1.00 0.00 C ATOM 323 CG2 ILE A 23 -3.180 -3.295 -5.535 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.318 -1.144 -4.046 1.00 0.00 C ATOM 0 H ILE A 23 -5.027 -2.233 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.085 -0.507 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.499 -2.779 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.544 -2.994 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.083 -1.592 -5.986 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.596 -4.214 -5.586 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.188 -3.525 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.230 -2.842 -6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.695 -0.993 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.825 -0.182 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.278 -1.606 -3.059 1.00 0.00 H new ATOM 336 N GLN A 24 -2.179 0.910 -5.377 1.00 0.00 N ATOM 337 CA GLN A 24 -1.736 1.839 -6.407 1.00 0.00 C ATOM 338 C GLN A 24 -0.228 1.736 -6.592 1.00 0.00 C ATOM 339 O GLN A 24 0.257 1.292 -7.633 1.00 0.00 O ATOM 340 CB GLN A 24 -2.118 3.268 -6.025 1.00 0.00 C ATOM 341 CG GLN A 24 -3.580 3.422 -5.641 1.00 0.00 C ATOM 342 CD GLN A 24 -4.128 4.797 -5.968 1.00 0.00 C ATOM 343 OE1 GLN A 24 -3.636 5.479 -6.867 1.00 0.00 O ATOM 344 NE2 GLN A 24 -5.157 5.210 -5.236 1.00 0.00 N ATOM 0 H GLN A 24 -1.833 1.123 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.226 1.581 -7.346 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.495 3.592 -5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.899 3.931 -6.862 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.170 2.667 -6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.693 3.235 -4.573 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.533 4.611 -4.501 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.571 6.126 -5.409 1.00 0.00 H new ATOM 353 N GLY A 25 0.503 2.137 -5.560 1.00 0.00 N ATOM 354 CA GLY A 25 1.950 2.075 -5.598 1.00 0.00 C ATOM 355 C GLY A 25 2.501 1.301 -4.419 1.00 0.00 C ATOM 356 O GLY A 25 1.776 1.021 -3.466 1.00 0.00 O ATOM 0 H GLY A 25 0.116 2.506 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.271 1.604 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.359 3.085 -5.595 1.00 0.00 H new ATOM 360 N THR A 26 3.779 0.949 -4.478 1.00 0.00 N ATOM 361 CA THR A 26 4.405 0.201 -3.395 1.00 0.00 C ATOM 362 C THR A 26 4.692 1.099 -2.202 1.00 0.00 C ATOM 363 O THR A 26 4.843 2.313 -2.338 1.00 0.00 O ATOM 364 CB THR A 26 5.717 -0.467 -3.849 1.00 0.00 C ATOM 365 OG1 THR A 26 6.419 0.391 -4.757 1.00 0.00 O ATOM 366 CG2 THR A 26 5.441 -1.805 -4.518 1.00 0.00 C ATOM 0 H THR A 26 4.399 1.167 -5.258 1.00 0.00 H new ATOM 0 HA THR A 26 3.698 -0.575 -3.102 1.00 0.00 H new ATOM 0 HB THR A 26 6.333 -0.640 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.252 -0.042 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.383 -2.257 -4.830 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.936 -2.467 -3.814 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.806 -1.651 -5.390 1.00 0.00 H new ATOM 374 N CYS A 27 4.755 0.483 -1.032 1.00 0.00 N ATOM 375 CA CYS A 27 5.012 1.200 0.209 1.00 0.00 C ATOM 376 C CYS A 27 6.510 1.400 0.433 1.00 0.00 C ATOM 377 O CYS A 27 7.104 2.345 -0.086 1.00 0.00 O ATOM 378 CB CYS A 27 4.401 0.427 1.378 1.00 0.00 C ATOM 379 SG CYS A 27 4.084 1.430 2.866 1.00 0.00 S ATOM 0 H CYS A 27 4.630 -0.523 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 27 4.552 2.186 0.142 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.462 -0.020 1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.069 -0.393 1.643 1.00 0.00 H new ATOM 384 N TYR A 28 7.108 0.503 1.216 1.00 0.00 N ATOM 385 CA TYR A 28 8.534 0.562 1.528 1.00 0.00 C ATOM 386 C TYR A 28 9.395 0.432 0.265 1.00 0.00 C ATOM 387 O TYR A 28 9.031 0.937 -0.797 1.00 0.00 O ATOM 388 CB TYR A 28 8.876 -0.535 2.539 1.00 0.00 C ATOM 389 CG TYR A 28 7.999 -0.501 3.772 1.00 0.00 C ATOM 390 CD1 TYR A 28 8.206 0.444 4.770 1.00 0.00 C ATOM 391 CD2 TYR A 28 6.963 -1.410 3.934 1.00 0.00 C ATOM 392 CE1 TYR A 28 7.404 0.479 5.895 1.00 0.00 C ATOM 393 CE2 TYR A 28 6.156 -1.380 5.056 1.00 0.00 C ATOM 394 CZ TYR A 28 6.381 -0.434 6.033 1.00 0.00 C ATOM 395 OH TYR A 28 5.580 -0.402 7.152 1.00 0.00 O ATOM 0 H TYR A 28 6.620 -0.281 1.650 1.00 0.00 H new ATOM 0 HA TYR A 28 8.756 1.536 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.778 -1.508 2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.919 -0.432 2.839 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.006 1.162 4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.784 -2.153 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.578 1.219 6.663 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.353 -2.094 5.167 1.00 0.00 H new ATOM 0 HH TYR A 28 4.907 -1.112 7.093 1.00 0.00 H new ATOM 405 N ARG A 29 10.542 -0.240 0.388 1.00 0.00 N ATOM 406 CA ARG A 29 11.452 -0.425 -0.740 1.00 0.00 C ATOM 407 C ARG A 29 10.709 -0.906 -1.981 1.00 0.00 C ATOM 408 O ARG A 29 10.962 -0.434 -3.090 1.00 0.00 O ATOM 409 CB ARG A 29 12.548 -1.427 -0.377 1.00 0.00 C ATOM 410 CG ARG A 29 13.870 -0.774 -0.015 1.00 0.00 C ATOM 411 CD ARG A 29 14.986 -1.800 0.088 1.00 0.00 C ATOM 412 NE ARG A 29 15.641 -1.765 1.392 1.00 0.00 N ATOM 413 CZ ARG A 29 15.865 -2.844 2.136 1.00 0.00 C ATOM 414 NH1 ARG A 29 15.481 -4.041 1.711 1.00 0.00 N ATOM 415 NH2 ARG A 29 16.473 -2.727 3.308 1.00 0.00 N ATOM 0 H ARG A 29 10.861 -0.665 1.259 1.00 0.00 H new ATOM 0 HA ARG A 29 11.902 0.542 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.210 -2.035 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.704 -2.103 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.127 -0.029 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.769 -0.247 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.580 -2.796 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.723 -1.614 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 29 15.944 -0.861 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.012 -4.136 0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.655 -4.866 2.285 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.769 -1.809 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.645 -3.555 3.878 1.00 0.00 H new ATOM 429 N GLY A 30 9.795 -1.848 -1.786 1.00 0.00 N ATOM 430 CA GLY A 30 9.029 -2.380 -2.897 1.00 0.00 C ATOM 431 C GLY A 30 8.548 -3.796 -2.647 1.00 0.00 C ATOM 432 O GLY A 30 8.296 -4.547 -3.588 1.00 0.00 O ATOM 0 H GLY A 30 9.570 -2.254 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.170 -1.736 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.642 -2.362 -3.798 1.00 0.00 H new ATOM 436 N LYS A 31 8.420 -4.161 -1.375 1.00 0.00 N ATOM 437 CA LYS A 31 7.965 -5.496 -1.008 1.00 0.00 C ATOM 438 C LYS A 31 6.486 -5.485 -0.639 1.00 0.00 C ATOM 439 O LYS A 31 5.739 -6.393 -1.005 1.00 0.00 O ATOM 440 CB LYS A 31 8.788 -6.037 0.162 1.00 0.00 C ATOM 441 CG LYS A 31 10.010 -6.829 -0.270 1.00 0.00 C ATOM 442 CD LYS A 31 11.297 -6.146 0.162 1.00 0.00 C ATOM 443 CE LYS A 31 12.435 -7.143 0.300 1.00 0.00 C ATOM 444 NZ LYS A 31 12.299 -7.972 1.529 1.00 0.00 N ATOM 0 H LYS A 31 8.625 -3.552 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 31 8.102 -6.147 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.108 -5.203 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.153 -6.672 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.966 -7.830 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.005 -6.946 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.567 -5.382 -0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.139 -5.638 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.457 -7.792 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.385 -6.609 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.190 -8.479 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.083 -7.358 2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.529 -8.660 1.400 1.00 0.00 H new ATOM 458 N ALA A 32 6.070 -4.452 0.088 1.00 0.00 N ATOM 459 CA ALA A 32 4.679 -4.325 0.504 1.00 0.00 C ATOM 460 C ALA A 32 3.914 -3.397 -0.433 1.00 0.00 C ATOM 461 O ALA A 32 4.434 -2.366 -0.856 1.00 0.00 O ATOM 462 CB ALA A 32 4.601 -3.818 1.936 1.00 0.00 C ATOM 0 H ALA A 32 6.676 -3.693 0.400 1.00 0.00 H new ATOM 0 HA ALA A 32 4.216 -5.311 0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.556 -3.728 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.108 -4.520 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.083 -2.843 2.003 1.00 0.00 H new ATOM 468 N LYS A 33 2.680 -3.769 -0.756 1.00 0.00 N ATOM 469 CA LYS A 33 1.851 -2.968 -1.643 1.00 0.00 C ATOM 470 C LYS A 33 1.005 -1.984 -0.852 1.00 0.00 C ATOM 471 O LYS A 33 0.282 -2.368 0.068 1.00 0.00 O ATOM 472 CB LYS A 33 0.942 -3.867 -2.476 1.00 0.00 C ATOM 473 CG LYS A 33 1.678 -5.003 -3.170 1.00 0.00 C ATOM 474 CD LYS A 33 1.682 -4.828 -4.683 1.00 0.00 C ATOM 475 CE LYS A 33 2.068 -3.412 -5.086 1.00 0.00 C ATOM 476 NZ LYS A 33 2.417 -3.321 -6.530 1.00 0.00 N ATOM 0 H LYS A 33 2.234 -4.621 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 33 2.512 -2.409 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.170 -4.286 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.435 -3.261 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.704 -5.048 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.207 -5.952 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.380 -5.536 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.694 -5.062 -5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.242 -2.735 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.916 -3.082 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.674 -2.341 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.222 -3.948 -6.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.599 -3.611 -7.104 1.00 0.00 H new ATOM 490 N CYS A 34 1.099 -0.716 -1.218 1.00 0.00 N ATOM 491 CA CYS A 34 0.337 0.329 -0.542 1.00 0.00 C ATOM 492 C CYS A 34 -1.081 0.419 -1.097 1.00 0.00 C ATOM 493 O CYS A 34 -1.303 0.944 -2.190 1.00 0.00 O ATOM 494 CB CYS A 34 1.043 1.677 -0.678 1.00 0.00 C ATOM 495 SG CYS A 34 1.598 2.380 0.908 1.00 0.00 S ATOM 0 H CYS A 34 1.693 -0.383 -1.977 1.00 0.00 H new ATOM 0 HA CYS A 34 0.274 0.069 0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.905 1.560 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.368 2.383 -1.161 1.00 0.00 H new ATOM 500 N CYS A 35 -2.039 -0.096 -0.331 1.00 0.00 N ATOM 501 CA CYS A 35 -3.439 -0.078 -0.736 1.00 0.00 C ATOM 502 C CYS A 35 -4.175 1.083 -0.081 1.00 0.00 C ATOM 503 O CYS A 35 -3.903 1.432 1.066 1.00 0.00 O ATOM 504 CB CYS A 35 -4.119 -1.395 -0.356 1.00 0.00 C ATOM 505 SG CYS A 35 -3.766 -2.778 -1.487 1.00 0.00 S ATOM 0 H CYS A 35 -1.869 -0.532 0.576 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.476 0.047 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.805 -1.675 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.197 -1.236 -0.321 1.00 0.00 H new ATOM 510 N LYS A 36 -5.112 1.673 -0.816 1.00 0.00 N ATOM 511 CA LYS A 36 -5.892 2.793 -0.302 1.00 0.00 C ATOM 512 C LYS A 36 -7.144 3.015 -1.144 1.00 0.00 C ATOM 513 O LYS A 36 -8.224 3.225 -0.552 1.00 0.00 O ATOM 514 CB LYS A 36 -5.046 4.067 -0.273 1.00 0.00 C ATOM 515 CG LYS A 36 -4.283 4.320 -1.561 1.00 0.00 C ATOM 516 CD LYS A 36 -2.864 3.782 -1.481 1.00 0.00 C ATOM 517 CE LYS A 36 -2.013 4.269 -2.644 1.00 0.00 C ATOM 518 NZ LYS A 36 -2.460 5.600 -3.144 1.00 0.00 N ATOM 519 OXT LYS A 36 -7.035 2.978 -2.387 1.00 0.00 O ATOM 0 H LYS A 36 -5.349 1.395 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.199 2.551 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.695 4.919 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.337 4.004 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.806 3.849 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.257 5.390 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.409 4.094 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.887 2.692 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.971 4.331 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.059 3.543 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.813 5.926 -3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.422 5.520 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.457 6.284 -2.361 1.00 0.00 H new