USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 493 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 34 HIS : no HD1:sc= -2.7! C(o=-6.1!,f=-12!) USER MOD Set 1.2: A 49 CYS SG : rot 127:sc= -2.8 USER MOD Set 1.3: A 50 CYS SG : rot -59:sc= 1.17 USER MOD Set 1.4: A 66 CYS SG : rot -132:sc= -0.89 USER MOD Set 1.5: A 67 THR OG1 : rot -100:sc= -0.835 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -166:sc= -0.981 (180deg=-1.46) USER MOD Set 3.1: A 12 CYS SG : rot 149:sc= -2.22 USER MOD Set 3.2: A 14 ASN : amide:sc= -4.71! C(o=-14!,f=-22!) USER MOD Set 3.3: A 17 CYS SG : rot -155:sc= 0.152 USER MOD Set 3.4: A 31 CYS SG : rot 47:sc= -0.73 USER MOD Set 3.5: A 71 HIS : no HD1:sc= -5.13! K(o=-14!,f=-15) USER MOD Set 3.6: A 72 ASN : amide:sc= -1.45 K(o=-14,f=-15) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.047) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -4.31! C(o=-4.3!,f=-20!) USER MOD Single : A 27 SER OG : rot 56:sc= 0.656 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -6.58! C(o=-6.6!,f=-13!) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= -0.121 (180deg=-2.07!) USER MOD Single : A 48 SER OG : rot -29:sc= 0.7 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 127:sc= -0.316 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -14:sc= 0.749 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.620 14.296 -1.471 1.00 0.00 N ATOM 67 CA MET A 8 0.825 14.279 -1.664 1.00 0.00 C ATOM 68 C MET A 8 1.387 12.877 -1.450 1.00 0.00 C ATOM 69 O MET A 8 2.601 12.677 -1.450 1.00 0.00 O ATOM 70 CB MET A 8 1.501 15.263 -0.706 1.00 0.00 C ATOM 71 CG MET A 8 0.765 15.428 0.613 1.00 0.00 C ATOM 72 SD MET A 8 1.281 16.900 1.517 1.00 0.00 S ATOM 73 CE MET A 8 0.027 18.071 1.004 1.00 0.00 C ATOM 0 HA MET A 8 1.032 14.581 -2.691 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.517 14.923 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.580 16.235 -1.193 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.307 15.481 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.936 14.548 1.232 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.211 19.033 1.481 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.062 18.191 -0.079 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.956 17.703 1.297 1.00 0.00 H new ATOM 83 N ALA A 9 0.494 11.909 -1.268 1.00 0.00 N ATOM 84 CA ALA A 9 0.901 10.525 -1.055 1.00 0.00 C ATOM 85 C ALA A 9 1.273 9.854 -2.372 1.00 0.00 C ATOM 86 O ALA A 9 0.401 9.469 -3.153 1.00 0.00 O ATOM 87 CB ALA A 9 -0.210 9.750 -0.360 1.00 0.00 C ATOM 0 H ALA A 9 -0.515 12.058 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 9 1.784 10.525 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.107 8.718 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.426 10.210 0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.107 9.766 -0.979 1.00 0.00 H new ATOM 93 N LEU A 10 2.573 9.716 -2.614 1.00 0.00 N ATOM 94 CA LEU A 10 3.061 9.091 -3.839 1.00 0.00 C ATOM 95 C LEU A 10 3.057 7.571 -3.712 1.00 0.00 C ATOM 96 O LEU A 10 3.444 7.022 -2.680 1.00 0.00 O ATOM 97 CB LEU A 10 4.472 9.585 -4.159 1.00 0.00 C ATOM 98 CG LEU A 10 4.721 11.080 -3.957 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.080 11.475 -4.517 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.616 11.898 -4.608 1.00 0.00 C ATOM 0 H LEU A 10 3.307 10.028 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 10 2.392 9.371 -4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.178 9.032 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.696 9.337 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 10 4.717 11.288 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.240 12.542 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.862 10.914 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.113 11.252 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.810 12.959 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.588 11.686 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.657 11.636 -4.160 1.00 0.00 H new ATOM 112 N LEU A 11 2.620 6.895 -4.769 1.00 0.00 N ATOM 113 CA LEU A 11 2.569 5.437 -4.778 1.00 0.00 C ATOM 114 C LEU A 11 3.948 4.846 -5.061 1.00 0.00 C ATOM 115 O LEU A 11 4.537 5.095 -6.112 1.00 0.00 O ATOM 116 CB LEU A 11 1.568 4.949 -5.825 1.00 0.00 C ATOM 117 CG LEU A 11 1.471 3.434 -6.007 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.616 2.725 -4.669 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.156 3.058 -6.673 1.00 0.00 C ATOM 0 H LEU A 11 2.296 7.333 -5.631 1.00 0.00 H new ATOM 0 HA LEU A 11 2.246 5.103 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.581 5.327 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.831 5.394 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 11 2.287 3.113 -6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.544 1.648 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.585 2.967 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.823 3.052 -3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.106 1.976 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.675 3.393 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.094 3.536 -7.651 1.00 0.00 H new ATOM 131 N CYS A 12 4.453 4.060 -4.116 1.00 0.00 N ATOM 132 CA CYS A 12 5.760 3.431 -4.263 1.00 0.00 C ATOM 133 C CYS A 12 5.734 2.376 -5.365 1.00 0.00 C ATOM 134 O CYS A 12 4.734 1.682 -5.552 1.00 0.00 O ATOM 135 CB CYS A 12 6.194 2.795 -2.942 1.00 0.00 C ATOM 136 SG CYS A 12 7.976 2.430 -2.842 1.00 0.00 S ATOM 0 H CYS A 12 3.977 3.844 -3.240 1.00 0.00 H new ATOM 0 HA CYS A 12 6.479 4.202 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.924 3.463 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.636 1.870 -2.796 1.00 0.00 H new ATOM 0 HG CYS A 12 8.373 2.539 -1.609 1.00 0.00 H new ATOM 141 N TYR A 13 6.842 2.260 -6.091 1.00 0.00 N ATOM 142 CA TYR A 13 6.945 1.291 -7.175 1.00 0.00 C ATOM 143 C TYR A 13 8.143 0.369 -6.968 1.00 0.00 C ATOM 144 O TYR A 13 8.816 -0.017 -7.923 1.00 0.00 O ATOM 145 CB TYR A 13 7.068 2.009 -8.520 1.00 0.00 C ATOM 146 CG TYR A 13 5.771 2.627 -8.996 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.851 1.883 -9.724 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.469 3.954 -8.718 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.667 2.443 -10.162 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.285 4.521 -9.150 1.00 0.00 C ATOM 151 CZ TYR A 13 3.387 3.762 -9.872 1.00 0.00 C ATOM 152 OH TYR A 13 2.209 4.324 -10.305 1.00 0.00 O ATOM 0 H TYR A 13 7.679 2.824 -5.948 1.00 0.00 H new ATOM 0 HA TYR A 13 6.038 0.686 -7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.824 2.789 -8.438 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.420 1.301 -9.270 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.065 0.849 -9.951 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.171 4.552 -8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.964 1.851 -10.729 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.064 5.554 -8.923 1.00 0.00 H new ATOM 0 HH TYR A 13 2.167 5.259 -10.016 1.00 0.00 H new ATOM 162 N ASN A 14 8.403 0.020 -5.712 1.00 0.00 N ATOM 163 CA ASN A 14 9.521 -0.857 -5.378 1.00 0.00 C ATOM 164 C ASN A 14 9.024 -2.251 -5.005 1.00 0.00 C ATOM 165 O ASN A 14 8.149 -2.402 -4.152 1.00 0.00 O ATOM 166 CB ASN A 14 10.331 -0.266 -4.224 1.00 0.00 C ATOM 167 CG ASN A 14 10.944 1.076 -4.575 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.472 1.262 -5.672 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.877 2.019 -3.643 1.00 0.00 N ATOM 0 H ASN A 14 7.856 0.330 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 14 10.161 -0.941 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.686 -0.151 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.122 -0.962 -3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.273 2.942 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.430 1.821 -2.748 1.00 0.00 H new ATOM 176 N ARG A 15 9.590 -3.266 -5.649 1.00 0.00 N ATOM 177 CA ARG A 15 9.207 -4.648 -5.385 1.00 0.00 C ATOM 178 C ARG A 15 9.191 -4.931 -3.886 1.00 0.00 C ATOM 179 O ARG A 15 10.219 -4.844 -3.217 1.00 0.00 O ATOM 180 CB ARG A 15 10.167 -5.609 -6.087 1.00 0.00 C ATOM 181 CG ARG A 15 10.415 -5.264 -7.546 1.00 0.00 C ATOM 182 CD ARG A 15 10.944 -6.462 -8.320 1.00 0.00 C ATOM 183 NE ARG A 15 11.112 -6.166 -9.740 1.00 0.00 N ATOM 184 CZ ARG A 15 10.105 -6.122 -10.606 1.00 0.00 C ATOM 185 NH1 ARG A 15 8.865 -6.354 -10.198 1.00 0.00 N ATOM 186 NH2 ARG A 15 10.339 -5.846 -11.882 1.00 0.00 N ATOM 0 H ARG A 15 10.316 -3.158 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 15 8.201 -4.801 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.119 -5.611 -5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.765 -6.620 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.488 -4.916 -8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.130 -4.443 -7.611 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.900 -6.772 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.258 -7.301 -8.203 1.00 0.00 H new ATOM 0 HE ARG A 15 12.054 -5.983 -10.086 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.682 -6.567 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.094 -6.320 -10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.292 -5.668 -12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.566 -5.812 -12.547 1.00 0.00 H new ATOM 200 N GLY A 16 8.016 -5.269 -3.364 1.00 0.00 N ATOM 201 CA GLY A 16 7.889 -5.559 -1.948 1.00 0.00 C ATOM 202 C GLY A 16 7.116 -4.488 -1.204 1.00 0.00 C ATOM 203 O GLY A 16 6.556 -4.743 -0.137 1.00 0.00 O ATOM 0 H GLY A 16 7.150 -5.347 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.389 -6.519 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.882 -5.657 -1.510 1.00 0.00 H new ATOM 207 N CYS A 17 7.087 -3.284 -1.766 1.00 0.00 N ATOM 208 CA CYS A 17 6.379 -2.169 -1.148 1.00 0.00 C ATOM 209 C CYS A 17 5.051 -1.910 -1.853 1.00 0.00 C ATOM 210 O CYS A 17 3.983 -2.178 -1.305 1.00 0.00 O ATOM 211 CB CYS A 17 7.245 -0.907 -1.185 1.00 0.00 C ATOM 212 SG CYS A 17 6.988 0.212 0.230 1.00 0.00 S ATOM 0 H CYS A 17 7.545 -3.056 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 17 6.173 -2.431 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.294 -1.200 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.037 -0.364 -2.107 1.00 0.00 H new ATOM 0 HG CYS A 17 7.305 1.425 -0.113 1.00 0.00 H new ATOM 217 N GLY A 18 5.127 -1.386 -3.073 1.00 0.00 N ATOM 218 CA GLY A 18 3.925 -1.099 -3.833 1.00 0.00 C ATOM 219 C GLY A 18 2.882 -0.364 -3.014 1.00 0.00 C ATOM 220 O GLY A 18 1.701 -0.362 -3.360 1.00 0.00 O ATOM 0 H GLY A 18 6.000 -1.155 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.185 -0.500 -4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.501 -2.033 -4.202 1.00 0.00 H new ATOM 224 N GLN A 19 3.319 0.260 -1.925 1.00 0.00 N ATOM 225 CA GLN A 19 2.415 0.999 -1.053 1.00 0.00 C ATOM 226 C GLN A 19 2.632 2.502 -1.192 1.00 0.00 C ATOM 227 O GLN A 19 3.620 2.945 -1.779 1.00 0.00 O ATOM 228 CB GLN A 19 2.615 0.575 0.403 1.00 0.00 C ATOM 229 CG GLN A 19 2.201 -0.861 0.680 1.00 0.00 C ATOM 230 CD GLN A 19 0.836 -0.960 1.332 1.00 0.00 C ATOM 231 OE1 GLN A 19 -0.050 -1.661 0.842 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.659 -0.257 2.445 1.00 0.00 N ATOM 0 H GLN A 19 4.294 0.268 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 19 1.393 0.769 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.665 0.699 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.042 1.241 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.194 -1.420 -0.256 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.943 -1.331 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.421 0.311 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.239 -0.285 2.929 1.00 0.00 H new ATOM 241 N ARG A 20 1.703 3.282 -0.648 1.00 0.00 N ATOM 242 CA ARG A 20 1.792 4.736 -0.712 1.00 0.00 C ATOM 243 C ARG A 20 2.811 5.263 0.294 1.00 0.00 C ATOM 244 O ARG A 20 3.311 4.516 1.136 1.00 0.00 O ATOM 245 CB ARG A 20 0.423 5.365 -0.446 1.00 0.00 C ATOM 246 CG ARG A 20 -0.605 5.066 -1.525 1.00 0.00 C ATOM 247 CD ARG A 20 -0.473 6.022 -2.700 1.00 0.00 C ATOM 248 NE ARG A 20 -1.734 6.185 -3.417 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.914 7.061 -4.399 1.00 0.00 C ATOM 250 NH1 ARG A 20 -0.918 7.850 -4.779 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.091 7.150 -5.004 1.00 0.00 N ATOM 0 H ARG A 20 0.880 2.931 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 20 2.121 5.011 -1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.047 5.005 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.540 6.445 -0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.481 4.041 -1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.608 5.141 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.132 6.993 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.289 5.651 -3.386 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.520 5.593 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.011 7.785 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.059 8.522 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.860 6.545 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.227 7.823 -5.758 1.00 0.00 H new ATOM 265 N PHE A 21 3.115 6.553 0.201 1.00 0.00 N ATOM 266 CA PHE A 21 4.075 7.180 1.101 1.00 0.00 C ATOM 267 C PHE A 21 4.062 8.697 0.938 1.00 0.00 C ATOM 268 O PHE A 21 3.498 9.225 -0.020 1.00 0.00 O ATOM 269 CB PHE A 21 5.481 6.639 0.839 1.00 0.00 C ATOM 270 CG PHE A 21 6.061 7.088 -0.471 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.825 6.369 -1.632 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.844 8.230 -0.543 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.359 6.780 -2.839 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.379 8.646 -1.747 1.00 0.00 C ATOM 275 CZ PHE A 21 7.136 7.920 -2.896 1.00 0.00 C ATOM 0 H PHE A 21 2.710 7.185 -0.489 1.00 0.00 H new ATOM 0 HA PHE A 21 3.787 6.940 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.140 6.956 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.452 5.550 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.217 5.477 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.038 8.801 0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.169 6.210 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.987 9.538 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.553 8.243 -3.838 1.00 0.00 H new ATOM 285 N ASP A 22 4.688 9.393 1.882 1.00 0.00 N ATOM 286 CA ASP A 22 4.752 10.849 1.843 1.00 0.00 C ATOM 287 C ASP A 22 6.184 11.325 1.622 1.00 0.00 C ATOM 288 O ASP A 22 7.103 10.968 2.358 1.00 0.00 O ATOM 289 CB ASP A 22 4.200 11.439 3.142 1.00 0.00 C ATOM 290 CG ASP A 22 2.797 10.952 3.449 1.00 0.00 C ATOM 291 OD1 ASP A 22 1.834 11.536 2.910 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.662 9.985 4.228 1.00 0.00 O ATOM 0 H ASP A 22 5.158 8.972 2.683 1.00 0.00 H new ATOM 0 HA ASP A 22 4.142 11.193 1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.862 11.176 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.197 12.527 3.071 1.00 0.00 H new ATOM 297 N PRO A 23 6.379 12.151 0.584 1.00 0.00 N ATOM 298 CA PRO A 23 7.698 12.694 0.241 1.00 0.00 C ATOM 299 C PRO A 23 8.191 13.708 1.267 1.00 0.00 C ATOM 300 O PRO A 23 9.382 13.770 1.567 1.00 0.00 O ATOM 301 CB PRO A 23 7.462 13.372 -1.111 1.00 0.00 C ATOM 302 CG PRO A 23 6.010 13.709 -1.117 1.00 0.00 C ATOM 303 CD PRO A 23 5.328 12.620 -0.336 1.00 0.00 C ATOM 0 HA PRO A 23 8.464 11.919 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.076 14.266 -1.218 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.718 12.708 -1.937 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.834 14.684 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.625 13.758 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.460 12.997 0.204 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.976 11.819 -0.986 1.00 0.00 H new ATOM 311 N GLU A 24 7.267 14.501 1.801 1.00 0.00 N ATOM 312 CA GLU A 24 7.610 15.513 2.793 1.00 0.00 C ATOM 313 C GLU A 24 8.339 14.887 3.979 1.00 0.00 C ATOM 314 O GLU A 24 8.950 15.587 4.788 1.00 0.00 O ATOM 315 CB GLU A 24 6.349 16.233 3.277 1.00 0.00 C ATOM 316 CG GLU A 24 5.092 15.387 3.181 1.00 0.00 C ATOM 317 CD GLU A 24 4.306 15.653 1.911 1.00 0.00 C ATOM 318 OE1 GLU A 24 4.705 16.556 1.146 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.293 14.959 1.683 1.00 0.00 O ATOM 0 H GLU A 24 6.276 14.462 1.563 1.00 0.00 H new ATOM 0 HA GLU A 24 8.274 16.237 2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.491 16.541 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.211 17.141 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.364 14.332 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.458 15.586 4.045 1.00 0.00 H new ATOM 326 N THR A 25 8.271 13.563 4.076 1.00 0.00 N ATOM 327 CA THR A 25 8.922 12.842 5.163 1.00 0.00 C ATOM 328 C THR A 25 9.816 11.729 4.627 1.00 0.00 C ATOM 329 O THR A 25 10.790 11.341 5.268 1.00 0.00 O ATOM 330 CB THR A 25 7.889 12.233 6.131 1.00 0.00 C ATOM 331 OG1 THR A 25 8.398 11.018 6.690 1.00 0.00 O ATOM 332 CG2 THR A 25 6.575 11.956 5.416 1.00 0.00 C ATOM 0 H THR A 25 7.772 12.968 3.415 1.00 0.00 H new ATOM 0 HA THR A 25 9.532 13.567 5.702 1.00 0.00 H new ATOM 0 HB THR A 25 7.706 12.951 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.736 10.638 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.862 11.526 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.175 12.888 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.746 11.255 4.599 1.00 0.00 H new ATOM 340 N ASN A 26 9.476 11.221 3.446 1.00 0.00 N ATOM 341 CA ASN A 26 10.248 10.153 2.824 1.00 0.00 C ATOM 342 C ASN A 26 11.733 10.299 3.142 1.00 0.00 C ATOM 343 O ASN A 26 12.288 11.396 3.073 1.00 0.00 O ATOM 344 CB ASN A 26 10.038 10.158 1.308 1.00 0.00 C ATOM 345 CG ASN A 26 10.767 9.022 0.618 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.635 8.379 1.208 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.420 8.772 -0.638 1.00 0.00 N ATOM 0 H ASN A 26 8.671 11.532 2.902 1.00 0.00 H new ATOM 0 HA ASN A 26 9.898 9.204 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.972 10.086 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.383 11.108 0.900 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.878 8.021 -1.154 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.695 9.331 -1.088 1.00 0.00 H new ATOM 354 N SER A 27 12.372 9.186 3.489 1.00 0.00 N ATOM 355 CA SER A 27 13.792 9.191 3.821 1.00 0.00 C ATOM 356 C SER A 27 14.474 7.928 3.303 1.00 0.00 C ATOM 357 O SER A 27 13.835 7.067 2.698 1.00 0.00 O ATOM 358 CB SER A 27 13.983 9.303 5.335 1.00 0.00 C ATOM 359 OG SER A 27 13.333 10.454 5.846 1.00 0.00 O ATOM 0 H SER A 27 11.929 8.269 3.547 1.00 0.00 H new ATOM 0 HA SER A 27 14.250 10.055 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.587 8.412 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.047 9.348 5.568 1.00 0.00 H new ATOM 0 HG SER A 27 12.387 10.435 5.592 1.00 0.00 H new ATOM 365 N ASP A 28 15.776 7.826 3.546 1.00 0.00 N ATOM 366 CA ASP A 28 16.548 6.669 3.106 1.00 0.00 C ATOM 367 C ASP A 28 16.249 5.453 3.977 1.00 0.00 C ATOM 368 O ASP A 28 16.737 4.354 3.716 1.00 0.00 O ATOM 369 CB ASP A 28 18.045 6.982 3.143 1.00 0.00 C ATOM 370 CG ASP A 28 18.897 5.730 3.173 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.070 5.105 2.106 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.391 5.374 4.264 1.00 0.00 O ATOM 0 H ASP A 28 16.319 8.530 4.045 1.00 0.00 H new ATOM 0 HA ASP A 28 16.258 6.440 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.310 7.578 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.265 7.589 4.021 1.00 0.00 H new ATOM 377 N ASP A 29 15.443 5.658 5.012 1.00 0.00 N ATOM 378 CA ASP A 29 15.077 4.578 5.923 1.00 0.00 C ATOM 379 C ASP A 29 13.583 4.608 6.229 1.00 0.00 C ATOM 380 O ASP A 29 13.167 4.379 7.365 1.00 0.00 O ATOM 381 CB ASP A 29 15.879 4.684 7.221 1.00 0.00 C ATOM 382 CG ASP A 29 15.562 5.948 7.996 1.00 0.00 C ATOM 383 OD1 ASP A 29 16.090 7.018 7.627 1.00 0.00 O ATOM 384 OD2 ASP A 29 14.788 5.867 8.971 1.00 0.00 O ATOM 0 H ASP A 29 15.030 6.562 5.242 1.00 0.00 H new ATOM 0 HA ASP A 29 15.311 3.631 5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.669 3.816 7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.944 4.661 6.990 1.00 0.00 H new ATOM 389 N ALA A 30 12.781 4.893 5.209 1.00 0.00 N ATOM 390 CA ALA A 30 11.333 4.952 5.370 1.00 0.00 C ATOM 391 C ALA A 30 10.635 3.994 4.410 1.00 0.00 C ATOM 392 O ALA A 30 9.450 3.698 4.565 1.00 0.00 O ATOM 393 CB ALA A 30 10.835 6.373 5.154 1.00 0.00 C ATOM 0 H ALA A 30 13.109 5.087 4.263 1.00 0.00 H new ATOM 0 HA ALA A 30 11.093 4.645 6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.752 6.402 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.301 7.037 5.882 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.094 6.700 4.147 1.00 0.00 H new ATOM 399 N CYS A 31 11.376 3.512 3.419 1.00 0.00 N ATOM 400 CA CYS A 31 10.828 2.588 2.433 1.00 0.00 C ATOM 401 C CYS A 31 11.542 1.240 2.496 1.00 0.00 C ATOM 402 O CYS A 31 12.771 1.172 2.460 1.00 0.00 O ATOM 403 CB CYS A 31 10.953 3.177 1.026 1.00 0.00 C ATOM 404 SG CYS A 31 10.462 2.035 -0.305 1.00 0.00 S ATOM 0 H CYS A 31 12.359 3.746 3.277 1.00 0.00 H new ATOM 0 HA CYS A 31 9.774 2.434 2.663 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.339 4.075 0.964 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.986 3.485 0.863 1.00 0.00 H new ATOM 0 HG CYS A 31 9.323 1.484 -0.006 1.00 0.00 H new ATOM 409 N THR A 32 10.760 0.168 2.591 1.00 0.00 N ATOM 410 CA THR A 32 11.314 -1.178 2.660 1.00 0.00 C ATOM 411 C THR A 32 10.914 -2.001 1.441 1.00 0.00 C ATOM 412 O THR A 32 9.764 -2.421 1.314 1.00 0.00 O ATOM 413 CB THR A 32 10.854 -1.910 3.934 1.00 0.00 C ATOM 414 OG1 THR A 32 10.587 -0.963 4.974 1.00 0.00 O ATOM 415 CG2 THR A 32 11.910 -2.901 4.401 1.00 0.00 C ATOM 0 H THR A 32 9.741 0.207 2.622 1.00 0.00 H new ATOM 0 HA THR A 32 12.399 -1.072 2.683 1.00 0.00 H new ATOM 0 HB THR A 32 9.942 -2.459 3.701 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.293 -1.437 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.562 -3.406 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.088 -3.638 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.837 -2.370 4.617 1.00 0.00 H new ATOM 423 N TYR A 33 11.870 -2.228 0.547 1.00 0.00 N ATOM 424 CA TYR A 33 11.616 -3.000 -0.664 1.00 0.00 C ATOM 425 C TYR A 33 12.741 -3.998 -0.919 1.00 0.00 C ATOM 426 O TYR A 33 13.663 -4.132 -0.114 1.00 0.00 O ATOM 427 CB TYR A 33 11.465 -2.067 -1.866 1.00 0.00 C ATOM 428 CG TYR A 33 12.694 -1.232 -2.144 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.005 -0.135 -1.351 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.542 -1.539 -3.200 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.127 0.632 -1.601 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.667 -0.779 -3.456 1.00 0.00 C ATOM 433 CZ TYR A 33 14.955 0.306 -2.654 1.00 0.00 C ATOM 434 OH TYR A 33 16.073 1.066 -2.908 1.00 0.00 O ATOM 0 H TYR A 33 12.828 -1.889 0.638 1.00 0.00 H new ATOM 0 HA TYR A 33 10.688 -3.554 -0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.233 -2.662 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.617 -1.404 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.359 0.123 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.318 -2.386 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.354 1.482 -0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.318 -1.033 -4.280 1.00 0.00 H new ATOM 0 HH TYR A 33 16.548 0.701 -3.684 1.00 0.00 H new ATOM 444 N HIS A 34 12.658 -4.697 -2.047 1.00 0.00 N ATOM 445 CA HIS A 34 13.670 -5.683 -2.411 1.00 0.00 C ATOM 446 C HIS A 34 14.377 -5.285 -3.704 1.00 0.00 C ATOM 447 O HIS A 34 13.821 -5.384 -4.799 1.00 0.00 O ATOM 448 CB HIS A 34 13.033 -7.064 -2.569 1.00 0.00 C ATOM 449 CG HIS A 34 12.434 -7.595 -1.303 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.192 -8.067 -0.252 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.142 -7.727 -0.922 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.392 -8.467 0.720 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.143 -8.271 0.339 1.00 0.00 N ATOM 0 H HIS A 34 11.901 -4.599 -2.724 1.00 0.00 H new ATOM 0 HA HIS A 34 14.409 -5.721 -1.611 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.258 -7.013 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.788 -7.765 -2.926 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.272 -7.455 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.706 -8.884 1.666 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.314 -8.488 0.892 1.00 0.00 H new ATOM 461 N PRO A 35 15.628 -4.823 -3.577 1.00 0.00 N ATOM 462 CA PRO A 35 16.438 -4.401 -4.725 1.00 0.00 C ATOM 463 C PRO A 35 16.854 -5.575 -5.604 1.00 0.00 C ATOM 464 O PRO A 35 17.585 -5.404 -6.578 1.00 0.00 O ATOM 465 CB PRO A 35 17.664 -3.756 -4.076 1.00 0.00 C ATOM 466 CG PRO A 35 17.765 -4.398 -2.735 1.00 0.00 C ATOM 467 CD PRO A 35 16.354 -4.679 -2.303 1.00 0.00 C ATOM 0 HA PRO A 35 15.889 -3.732 -5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.563 -3.931 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.544 -2.676 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.348 -5.318 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.267 -3.741 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.291 -5.585 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.949 -3.866 -1.700 1.00 0.00 H new ATOM 475 N GLY A 36 16.384 -6.768 -5.252 1.00 0.00 N ATOM 476 CA GLY A 36 16.719 -7.953 -6.020 1.00 0.00 C ATOM 477 C GLY A 36 15.571 -8.424 -6.890 1.00 0.00 C ATOM 478 O GLY A 36 14.641 -7.666 -7.168 1.00 0.00 O ATOM 0 H GLY A 36 15.778 -6.935 -4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.584 -7.742 -6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.007 -8.754 -5.339 1.00 0.00 H new ATOM 482 N VAL A 37 15.635 -9.679 -7.324 1.00 0.00 N ATOM 483 CA VAL A 37 14.594 -10.250 -8.169 1.00 0.00 C ATOM 484 C VAL A 37 13.986 -11.492 -7.528 1.00 0.00 C ATOM 485 O VAL A 37 14.608 -12.164 -6.706 1.00 0.00 O ATOM 486 CB VAL A 37 15.139 -10.618 -9.562 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.003 -9.443 -10.517 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.589 -11.070 -9.463 1.00 0.00 C ATOM 0 H VAL A 37 16.398 -10.320 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 37 13.823 -9.487 -8.280 1.00 0.00 H new ATOM 0 HB VAL A 37 14.549 -11.445 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.393 -9.722 -11.496 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.952 -9.170 -10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.566 -8.593 -10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.959 -11.326 -10.456 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.194 -10.264 -9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.654 -11.944 -8.815 1.00 0.00 H new ATOM 498 N PRO A 38 12.740 -11.808 -7.913 1.00 0.00 N ATOM 499 CA PRO A 38 12.021 -12.972 -7.389 1.00 0.00 C ATOM 500 C PRO A 38 12.611 -14.289 -7.883 1.00 0.00 C ATOM 501 O PRO A 38 12.714 -14.523 -9.087 1.00 0.00 O ATOM 502 CB PRO A 38 10.602 -12.786 -7.932 1.00 0.00 C ATOM 503 CG PRO A 38 10.771 -11.960 -9.160 1.00 0.00 C ATOM 504 CD PRO A 38 11.939 -11.052 -8.890 1.00 0.00 C ATOM 0 HA PRO A 38 12.073 -13.027 -6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.137 -13.745 -8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.962 -12.287 -7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.958 -12.589 -10.031 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.870 -11.384 -9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.505 -10.844 -9.798 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.617 -10.091 -8.488 1.00 0.00 H new ATOM 512 N VAL A 39 13.000 -15.146 -6.944 1.00 0.00 N ATOM 513 CA VAL A 39 13.580 -16.440 -7.284 1.00 0.00 C ATOM 514 C VAL A 39 12.816 -17.577 -6.614 1.00 0.00 C ATOM 515 O VAL A 39 12.271 -17.415 -5.522 1.00 0.00 O ATOM 516 CB VAL A 39 15.061 -16.518 -6.869 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.288 -15.782 -5.557 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.507 -17.968 -6.760 1.00 0.00 C ATOM 0 H VAL A 39 12.924 -14.968 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 39 13.508 -16.545 -8.367 1.00 0.00 H new ATOM 0 HB VAL A 39 15.662 -16.033 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.340 -15.848 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.009 -14.735 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.678 -16.235 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.556 -18.005 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.902 -18.479 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.383 -18.460 -7.725 1.00 0.00 H new ATOM 528 N PHE A 40 12.780 -18.729 -7.277 1.00 0.00 N ATOM 529 CA PHE A 40 12.080 -19.894 -6.746 1.00 0.00 C ATOM 530 C PHE A 40 12.905 -21.162 -6.952 1.00 0.00 C ATOM 531 O PHE A 40 12.858 -21.782 -8.015 1.00 0.00 O ATOM 532 CB PHE A 40 10.715 -20.046 -7.418 1.00 0.00 C ATOM 533 CG PHE A 40 10.132 -18.745 -7.891 1.00 0.00 C ATOM 534 CD1 PHE A 40 10.543 -18.179 -9.086 1.00 0.00 C ATOM 535 CD2 PHE A 40 9.170 -18.088 -7.139 1.00 0.00 C ATOM 536 CE1 PHE A 40 10.008 -16.982 -9.524 1.00 0.00 C ATOM 537 CE2 PHE A 40 8.632 -16.891 -7.572 1.00 0.00 C ATOM 538 CZ PHE A 40 9.051 -16.337 -8.765 1.00 0.00 C ATOM 0 H PHE A 40 13.227 -18.881 -8.181 1.00 0.00 H new ATOM 0 HA PHE A 40 11.935 -19.744 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.810 -20.722 -8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.023 -20.511 -6.716 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.291 -18.679 -9.683 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.838 -18.516 -6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.338 -16.552 -10.458 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.884 -16.389 -6.977 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.631 -15.401 -9.104 1.00 0.00 H new ATOM 548 N HIS A 41 13.661 -21.541 -5.926 1.00 0.00 N ATOM 549 CA HIS A 41 14.497 -22.735 -5.993 1.00 0.00 C ATOM 550 C HIS A 41 14.148 -23.706 -4.869 1.00 0.00 C ATOM 551 O HIS A 41 13.969 -23.301 -3.720 1.00 0.00 O ATOM 552 CB HIS A 41 15.974 -22.354 -5.913 1.00 0.00 C ATOM 553 CG HIS A 41 16.323 -21.554 -4.696 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.048 -21.978 -3.413 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.927 -20.350 -4.571 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.467 -21.069 -2.552 1.00 0.00 C ATOM 557 NE2 HIS A 41 17.006 -20.071 -3.229 1.00 0.00 N ATOM 0 H HIS A 41 13.712 -21.039 -5.039 1.00 0.00 H new ATOM 0 HA HIS A 41 14.308 -23.228 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.576 -23.263 -5.925 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.242 -21.783 -6.802 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.592 -22.857 -3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 41 17.281 -19.725 -5.377 1.00 0.00 H new ATOM 0 HE1 HIS A 41 16.383 -21.131 -1.477 1.00 0.00 H new ATOM 565 N ASP A 42 14.052 -24.987 -5.208 1.00 0.00 N ATOM 566 CA ASP A 42 13.726 -26.015 -4.227 1.00 0.00 C ATOM 567 C ASP A 42 12.458 -25.651 -3.460 1.00 0.00 C ATOM 568 O ASP A 42 12.403 -25.781 -2.238 1.00 0.00 O ATOM 569 CB ASP A 42 14.889 -26.209 -3.253 1.00 0.00 C ATOM 570 CG ASP A 42 16.216 -26.386 -3.963 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.299 -26.038 -5.159 1.00 0.00 O ATOM 572 OD2 ASP A 42 17.173 -26.872 -3.323 1.00 0.00 O ATOM 0 H ASP A 42 14.195 -25.338 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 42 13.551 -26.949 -4.761 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.949 -25.348 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.695 -27.082 -2.629 1.00 0.00 H new ATOM 577 N ALA A 43 11.444 -25.195 -4.187 1.00 0.00 N ATOM 578 CA ALA A 43 10.177 -24.813 -3.575 1.00 0.00 C ATOM 579 C ALA A 43 10.335 -23.560 -2.720 1.00 0.00 C ATOM 580 O ALA A 43 9.377 -23.087 -2.110 1.00 0.00 O ATOM 581 CB ALA A 43 9.628 -25.959 -2.738 1.00 0.00 C ATOM 0 H ALA A 43 11.475 -25.081 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 43 9.470 -24.589 -4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.682 -25.660 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.467 -26.830 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.341 -26.210 -1.953 1.00 0.00 H new ATOM 587 N LEU A 44 11.552 -23.027 -2.680 1.00 0.00 N ATOM 588 CA LEU A 44 11.837 -21.828 -1.899 1.00 0.00 C ATOM 589 C LEU A 44 11.722 -20.576 -2.763 1.00 0.00 C ATOM 590 O LEU A 44 12.519 -20.363 -3.676 1.00 0.00 O ATOM 591 CB LEU A 44 13.236 -21.914 -1.288 1.00 0.00 C ATOM 592 CG LEU A 44 13.623 -23.265 -0.685 1.00 0.00 C ATOM 593 CD1 LEU A 44 15.070 -23.246 -0.219 1.00 0.00 C ATOM 594 CD2 LEU A 44 12.694 -23.620 0.467 1.00 0.00 C ATOM 0 H LEU A 44 12.357 -23.406 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 44 11.101 -21.763 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.964 -21.661 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.318 -21.155 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 44 13.521 -24.029 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.328 -24.216 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.723 -23.037 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.199 -22.472 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.984 -24.584 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.764 -22.854 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.668 -23.676 0.103 1.00 0.00 H new ATOM 606 N LYS A 45 10.726 -19.748 -2.466 1.00 0.00 N ATOM 607 CA LYS A 45 10.508 -18.514 -3.212 1.00 0.00 C ATOM 608 C LYS A 45 10.972 -17.303 -2.408 1.00 0.00 C ATOM 609 O LYS A 45 10.469 -17.041 -1.316 1.00 0.00 O ATOM 610 CB LYS A 45 9.028 -18.365 -3.571 1.00 0.00 C ATOM 611 CG LYS A 45 8.365 -19.672 -3.972 1.00 0.00 C ATOM 612 CD LYS A 45 6.903 -19.469 -4.327 1.00 0.00 C ATOM 613 CE LYS A 45 6.242 -20.776 -4.739 1.00 0.00 C ATOM 614 NZ LYS A 45 5.215 -20.569 -5.797 1.00 0.00 N ATOM 0 H LYS A 45 10.057 -19.909 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 45 11.094 -18.565 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.496 -17.944 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.931 -17.652 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.891 -20.101 -4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.446 -20.388 -3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.375 -19.047 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.822 -18.747 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.002 -21.469 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.778 -21.239 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.392 -21.175 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.918 -19.572 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.617 -20.815 -6.724 1.00 0.00 H new ATOM 628 N GLY A 46 11.934 -16.567 -2.956 1.00 0.00 N ATOM 629 CA GLY A 46 12.448 -15.392 -2.276 1.00 0.00 C ATOM 630 C GLY A 46 13.052 -14.385 -3.235 1.00 0.00 C ATOM 631 O GLY A 46 12.587 -14.239 -4.365 1.00 0.00 O ATOM 0 H GLY A 46 12.367 -16.763 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.642 -14.918 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.203 -15.697 -1.551 1.00 0.00 H new ATOM 635 N TRP A 47 14.089 -13.689 -2.783 1.00 0.00 N ATOM 636 CA TRP A 47 14.755 -12.689 -3.609 1.00 0.00 C ATOM 637 C TRP A 47 16.271 -12.808 -3.489 1.00 0.00 C ATOM 638 O TRP A 47 16.792 -13.174 -2.436 1.00 0.00 O ATOM 639 CB TRP A 47 14.307 -11.284 -3.206 1.00 0.00 C ATOM 640 CG TRP A 47 12.821 -11.094 -3.264 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.903 -11.546 -2.361 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.085 -10.404 -4.279 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.637 -11.178 -2.754 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.723 -10.476 -3.927 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.444 -9.731 -5.450 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.722 -9.901 -4.706 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.448 -9.161 -6.222 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.101 -9.248 -5.847 1.00 0.00 C ATOM 0 H TRP A 47 14.486 -13.799 -1.850 1.00 0.00 H new ATOM 0 HA TRP A 47 14.476 -12.866 -4.648 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.653 -11.077 -2.193 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.785 -10.556 -3.862 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.136 -12.109 -1.470 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.775 -11.393 -2.253 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.480 -9.657 -5.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.683 -9.968 -4.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.713 -8.640 -7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.347 -8.791 -6.471 1.00 0.00 H new ATOM 659 N SER A 48 16.972 -12.495 -4.574 1.00 0.00 N ATOM 660 CA SER A 48 18.428 -12.570 -4.591 1.00 0.00 C ATOM 661 C SER A 48 19.038 -11.484 -3.710 1.00 0.00 C ATOM 662 O SER A 48 20.259 -11.386 -3.580 1.00 0.00 O ATOM 663 CB SER A 48 18.951 -12.435 -6.022 1.00 0.00 C ATOM 664 OG SER A 48 20.365 -12.502 -6.057 1.00 0.00 O ATOM 0 H SER A 48 16.555 -12.187 -5.453 1.00 0.00 H new ATOM 0 HA SER A 48 18.721 -13.542 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.531 -13.227 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.618 -11.488 -6.446 1.00 0.00 H new ATOM 0 HG SER A 48 20.729 -12.169 -5.210 1.00 0.00 H new ATOM 670 N CYS A 49 18.180 -10.669 -3.106 1.00 0.00 N ATOM 671 CA CYS A 49 18.632 -9.589 -2.238 1.00 0.00 C ATOM 672 C CYS A 49 18.764 -10.070 -0.795 1.00 0.00 C ATOM 673 O CYS A 49 19.670 -9.656 -0.072 1.00 0.00 O ATOM 674 CB CYS A 49 17.657 -8.411 -2.306 1.00 0.00 C ATOM 675 SG CYS A 49 15.925 -8.857 -1.959 1.00 0.00 S ATOM 0 H CYS A 49 17.167 -10.736 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 49 19.612 -9.263 -2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.974 -7.649 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.714 -7.963 -3.298 1.00 0.00 H new ATOM 0 HG CYS A 49 15.456 -8.083 -1.026 1.00 0.00 H new ATOM 680 N CYS A 50 17.855 -10.948 -0.384 1.00 0.00 N ATOM 681 CA CYS A 50 17.869 -11.487 0.970 1.00 0.00 C ATOM 682 C CYS A 50 17.821 -13.012 0.950 1.00 0.00 C ATOM 683 O CYS A 50 17.710 -13.627 -0.111 1.00 0.00 O ATOM 684 CB CYS A 50 16.688 -10.939 1.772 1.00 0.00 C ATOM 685 SG CYS A 50 15.118 -10.900 0.849 1.00 0.00 S ATOM 0 H CYS A 50 17.099 -11.301 -0.970 1.00 0.00 H new ATOM 0 HA CYS A 50 18.799 -11.177 1.447 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.556 -11.548 2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.926 -9.929 2.106 1.00 0.00 H new ATOM 0 HG CYS A 50 15.256 -10.159 -0.210 1.00 0.00 H new ATOM 690 N LYS A 51 17.906 -13.617 2.130 1.00 0.00 N ATOM 691 CA LYS A 51 17.869 -15.069 2.250 1.00 0.00 C ATOM 692 C LYS A 51 16.448 -15.559 2.507 1.00 0.00 C ATOM 693 O LYS A 51 16.099 -16.690 2.165 1.00 0.00 O ATOM 694 CB LYS A 51 18.792 -15.531 3.381 1.00 0.00 C ATOM 695 CG LYS A 51 20.228 -15.062 3.225 1.00 0.00 C ATOM 696 CD LYS A 51 21.181 -16.233 3.062 1.00 0.00 C ATOM 697 CE LYS A 51 22.597 -15.862 3.479 1.00 0.00 C ATOM 698 NZ LYS A 51 23.556 -16.973 3.236 1.00 0.00 N ATOM 0 H LYS A 51 18.001 -13.123 3.017 1.00 0.00 H new ATOM 0 HA LYS A 51 18.216 -15.495 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.400 -15.165 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 51 18.778 -16.620 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.305 -14.405 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.517 -14.475 4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.832 -17.073 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.181 -16.562 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.918 -14.978 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.607 -15.599 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.509 -16.680 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.264 -17.809 3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.566 -17.207 2.223 1.00 0.00 H new ATOM 712 N ARG A 52 15.630 -14.702 3.109 1.00 0.00 N ATOM 713 CA ARG A 52 14.247 -15.048 3.410 1.00 0.00 C ATOM 714 C ARG A 52 13.668 -15.964 2.336 1.00 0.00 C ATOM 715 O ARG A 52 13.918 -15.775 1.145 1.00 0.00 O ATOM 716 CB ARG A 52 13.396 -13.782 3.528 1.00 0.00 C ATOM 717 CG ARG A 52 11.913 -14.059 3.701 1.00 0.00 C ATOM 718 CD ARG A 52 11.605 -14.605 5.088 1.00 0.00 C ATOM 719 NE ARG A 52 11.570 -13.548 6.096 1.00 0.00 N ATOM 720 CZ ARG A 52 11.240 -13.755 7.366 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.918 -14.973 7.780 1.00 0.00 N ATOM 722 NH2 ARG A 52 11.230 -12.743 8.223 1.00 0.00 N ATOM 0 H ARG A 52 15.902 -13.762 3.398 1.00 0.00 H new ATOM 0 HA ARG A 52 14.232 -15.579 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.749 -13.195 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.541 -13.172 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.349 -13.141 3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.585 -14.774 2.946 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.645 -15.121 5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.358 -15.343 5.363 1.00 0.00 H new ATOM 0 HE ARG A 52 11.812 -12.600 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.923 -15.753 7.123 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.665 -15.130 8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.476 -11.805 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.976 -12.903 9.198 1.00 0.00 H new ATOM 736 N ARG A 53 12.896 -16.956 2.764 1.00 0.00 N ATOM 737 CA ARG A 53 12.285 -17.902 1.839 1.00 0.00 C ATOM 738 C ARG A 53 10.994 -18.474 2.420 1.00 0.00 C ATOM 739 O ARG A 53 10.854 -18.608 3.636 1.00 0.00 O ATOM 740 CB ARG A 53 13.258 -19.037 1.518 1.00 0.00 C ATOM 741 CG ARG A 53 14.127 -18.767 0.301 1.00 0.00 C ATOM 742 CD ARG A 53 13.285 -18.520 -0.942 1.00 0.00 C ATOM 743 NE ARG A 53 14.076 -18.610 -2.166 1.00 0.00 N ATOM 744 CZ ARG A 53 15.009 -17.726 -2.506 1.00 0.00 C ATOM 745 NH1 ARG A 53 15.264 -16.692 -1.717 1.00 0.00 N ATOM 746 NH2 ARG A 53 15.686 -17.876 -3.636 1.00 0.00 N ATOM 0 H ARG A 53 12.678 -17.126 3.746 1.00 0.00 H new ATOM 0 HA ARG A 53 12.045 -17.368 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.900 -19.209 2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.692 -19.954 1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.761 -17.901 0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.789 -19.616 0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.474 -19.247 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.826 -17.533 -0.879 1.00 0.00 H new ATOM 0 HE ARG A 53 13.903 -19.394 -2.795 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.744 -16.574 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.980 -16.015 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.491 -18.670 -4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.402 -17.197 -3.896 1.00 0.00 H new ATOM 760 N THR A 54 10.053 -18.810 1.543 1.00 0.00 N ATOM 761 CA THR A 54 8.775 -19.366 1.968 1.00 0.00 C ATOM 762 C THR A 54 8.179 -20.263 0.889 1.00 0.00 C ATOM 763 O THR A 54 8.023 -19.850 -0.261 1.00 0.00 O ATOM 764 CB THR A 54 7.766 -18.254 2.310 1.00 0.00 C ATOM 765 OG1 THR A 54 6.448 -18.805 2.415 1.00 0.00 O ATOM 766 CG2 THR A 54 7.781 -17.163 1.251 1.00 0.00 C ATOM 0 H THR A 54 10.153 -18.706 0.533 1.00 0.00 H new ATOM 0 HA THR A 54 8.969 -19.959 2.862 1.00 0.00 H new ATOM 0 HB THR A 54 8.054 -17.814 3.265 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.054 -18.550 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.060 -16.389 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.778 -16.726 1.193 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.516 -17.591 0.284 1.00 0.00 H new ATOM 774 N THR A 55 7.849 -21.494 1.265 1.00 0.00 N ATOM 775 CA THR A 55 7.271 -22.451 0.330 1.00 0.00 C ATOM 776 C THR A 55 5.886 -22.004 -0.128 1.00 0.00 C ATOM 777 O THR A 55 5.321 -22.565 -1.066 1.00 0.00 O ATOM 778 CB THR A 55 7.163 -23.854 0.955 1.00 0.00 C ATOM 779 OG1 THR A 55 6.523 -23.774 2.233 1.00 0.00 O ATOM 780 CG2 THR A 55 8.540 -24.483 1.110 1.00 0.00 C ATOM 0 H THR A 55 7.972 -21.852 2.212 1.00 0.00 H new ATOM 0 HA THR A 55 7.940 -22.495 -0.530 1.00 0.00 H new ATOM 0 HB THR A 55 6.567 -24.479 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.457 -24.671 2.622 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.440 -25.474 1.553 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.013 -24.570 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.155 -23.857 1.756 1.00 0.00 H new ATOM 788 N ASP A 56 5.346 -20.990 0.540 1.00 0.00 N ATOM 789 CA ASP A 56 4.028 -20.467 0.200 1.00 0.00 C ATOM 790 C ASP A 56 4.141 -19.314 -0.792 1.00 0.00 C ATOM 791 O ASP A 56 4.908 -18.373 -0.583 1.00 0.00 O ATOM 792 CB ASP A 56 3.300 -20.000 1.462 1.00 0.00 C ATOM 793 CG ASP A 56 1.795 -19.970 1.285 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.332 -19.470 0.239 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.082 -20.447 2.191 1.00 0.00 O ATOM 0 H ASP A 56 5.801 -20.514 1.319 1.00 0.00 H new ATOM 0 HA ASP A 56 3.455 -21.269 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.552 -20.663 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.651 -19.004 1.733 1.00 0.00 H new ATOM 800 N PHE A 57 3.373 -19.394 -1.874 1.00 0.00 N ATOM 801 CA PHE A 57 3.389 -18.359 -2.901 1.00 0.00 C ATOM 802 C PHE A 57 2.845 -17.042 -2.353 1.00 0.00 C ATOM 803 O PHE A 57 3.318 -15.965 -2.717 1.00 0.00 O ATOM 804 CB PHE A 57 2.563 -18.799 -4.112 1.00 0.00 C ATOM 805 CG PHE A 57 2.273 -17.685 -5.076 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.292 -17.104 -5.812 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.978 -17.219 -5.246 1.00 0.00 C ATOM 808 CE1 PHE A 57 3.028 -16.079 -6.701 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.708 -16.195 -6.134 1.00 0.00 C ATOM 810 CZ PHE A 57 1.734 -15.623 -6.861 1.00 0.00 C ATOM 0 H PHE A 57 2.732 -20.165 -2.062 1.00 0.00 H new ATOM 0 HA PHE A 57 4.423 -18.206 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.095 -19.593 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.621 -19.223 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.306 -17.456 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.172 -17.661 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.832 -15.635 -7.269 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.305 -15.842 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.525 -14.821 -7.553 1.00 0.00 H new ATOM 820 N SER A 58 1.851 -17.138 -1.476 1.00 0.00 N ATOM 821 CA SER A 58 1.241 -15.955 -0.881 1.00 0.00 C ATOM 822 C SER A 58 2.229 -15.232 0.028 1.00 0.00 C ATOM 823 O SER A 58 2.476 -14.036 -0.130 1.00 0.00 O ATOM 824 CB SER A 58 -0.008 -16.344 -0.088 1.00 0.00 C ATOM 825 OG SER A 58 -0.919 -15.262 -0.007 1.00 0.00 O ATOM 0 H SER A 58 1.451 -18.022 -1.162 1.00 0.00 H new ATOM 0 HA SER A 58 0.956 -15.280 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.493 -17.197 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.278 -16.658 0.916 1.00 0.00 H new ATOM 0 HG SER A 58 -1.709 -15.537 0.503 1.00 0.00 H new ATOM 831 N ASP A 59 2.794 -15.966 0.980 1.00 0.00 N ATOM 832 CA ASP A 59 3.759 -15.397 1.914 1.00 0.00 C ATOM 833 C ASP A 59 4.931 -14.767 1.169 1.00 0.00 C ATOM 834 O ASP A 59 5.462 -13.737 1.584 1.00 0.00 O ATOM 835 CB ASP A 59 4.266 -16.473 2.875 1.00 0.00 C ATOM 836 CG ASP A 59 3.172 -17.008 3.776 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.025 -16.525 3.669 1.00 0.00 O ATOM 838 OD2 ASP A 59 3.462 -17.912 4.588 1.00 0.00 O ATOM 0 H ASP A 59 2.600 -16.957 1.126 1.00 0.00 H new ATOM 0 HA ASP A 59 3.257 -14.618 2.487 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.694 -17.295 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.067 -16.060 3.488 1.00 0.00 H new ATOM 843 N PHE A 60 5.330 -15.394 0.068 1.00 0.00 N ATOM 844 CA PHE A 60 6.443 -14.897 -0.734 1.00 0.00 C ATOM 845 C PHE A 60 6.250 -13.422 -1.077 1.00 0.00 C ATOM 846 O PHE A 60 7.148 -12.603 -0.877 1.00 0.00 O ATOM 847 CB PHE A 60 6.580 -15.717 -2.019 1.00 0.00 C ATOM 848 CG PHE A 60 7.498 -15.095 -3.032 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.802 -14.769 -2.696 1.00 0.00 C ATOM 850 CD2 PHE A 60 7.057 -14.836 -4.320 1.00 0.00 C ATOM 851 CE1 PHE A 60 9.650 -14.198 -3.625 1.00 0.00 C ATOM 852 CE2 PHE A 60 7.901 -14.265 -5.254 1.00 0.00 C ATOM 853 CZ PHE A 60 9.198 -13.945 -4.906 1.00 0.00 C ATOM 0 H PHE A 60 4.900 -16.247 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 60 7.356 -14.999 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.949 -16.711 -1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.594 -15.846 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.160 -14.964 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.043 -15.083 -4.597 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.665 -13.950 -3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.546 -14.069 -6.255 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.858 -13.498 -5.634 1.00 0.00 H new ATOM 863 N LEU A 61 5.071 -13.091 -1.595 1.00 0.00 N ATOM 864 CA LEU A 61 4.759 -11.716 -1.966 1.00 0.00 C ATOM 865 C LEU A 61 4.540 -10.853 -0.728 1.00 0.00 C ATOM 866 O LEU A 61 4.267 -9.657 -0.832 1.00 0.00 O ATOM 867 CB LEU A 61 3.514 -11.677 -2.855 1.00 0.00 C ATOM 868 CG LEU A 61 3.425 -12.757 -3.933 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.988 -12.934 -4.396 1.00 0.00 C ATOM 870 CD2 LEU A 61 4.327 -12.412 -5.110 1.00 0.00 C ATOM 0 H LEU A 61 4.317 -13.756 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 61 5.607 -11.314 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.634 -11.756 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.469 -10.702 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 61 3.765 -13.699 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.946 -13.707 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.367 -13.228 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.620 -11.994 -4.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.251 -13.192 -5.868 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.018 -11.459 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.359 -12.338 -4.768 1.00 0.00 H new ATOM 882 N SER A 62 4.663 -11.468 0.444 1.00 0.00 N ATOM 883 CA SER A 62 4.477 -10.757 1.704 1.00 0.00 C ATOM 884 C SER A 62 5.821 -10.405 2.333 1.00 0.00 C ATOM 885 O SER A 62 5.938 -9.423 3.067 1.00 0.00 O ATOM 886 CB SER A 62 3.653 -11.604 2.675 1.00 0.00 C ATOM 887 OG SER A 62 2.880 -10.785 3.537 1.00 0.00 O ATOM 0 H SER A 62 4.891 -12.457 0.547 1.00 0.00 H new ATOM 0 HA SER A 62 3.940 -9.832 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.996 -12.270 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.317 -12.235 3.266 1.00 0.00 H new ATOM 0 HG SER A 62 2.361 -11.350 4.147 1.00 0.00 H new ATOM 893 N ILE A 63 6.834 -11.213 2.039 1.00 0.00 N ATOM 894 CA ILE A 63 8.172 -10.987 2.575 1.00 0.00 C ATOM 895 C ILE A 63 8.472 -9.497 2.691 1.00 0.00 C ATOM 896 O ILE A 63 8.536 -8.785 1.688 1.00 0.00 O ATOM 897 CB ILE A 63 9.248 -11.650 1.696 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.099 -13.173 1.729 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.639 -11.239 2.161 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.724 -13.867 0.539 1.00 0.00 C ATOM 0 H ILE A 63 6.755 -12.030 1.433 1.00 0.00 H new ATOM 0 HA ILE A 63 8.197 -11.438 3.567 1.00 0.00 H new ATOM 0 HB ILE A 63 9.114 -11.313 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.555 -13.555 2.643 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.040 -13.426 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.389 -11.716 1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.741 -10.156 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.784 -11.551 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.580 -14.944 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.252 -13.513 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.791 -13.645 0.507 1.00 0.00 H new ATOM 912 N VAL A 64 8.658 -9.030 3.922 1.00 0.00 N ATOM 913 CA VAL A 64 8.957 -7.625 4.170 1.00 0.00 C ATOM 914 C VAL A 64 10.317 -7.243 3.600 1.00 0.00 C ATOM 915 O VAL A 64 11.319 -7.912 3.854 1.00 0.00 O ATOM 916 CB VAL A 64 8.933 -7.304 5.676 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.146 -5.816 5.908 1.00 0.00 C ATOM 918 CG2 VAL A 64 7.625 -7.767 6.299 1.00 0.00 C ATOM 0 H VAL A 64 8.607 -9.605 4.763 1.00 0.00 H new ATOM 0 HA VAL A 64 8.182 -7.043 3.670 1.00 0.00 H new ATOM 0 HB VAL A 64 9.749 -7.843 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.126 -5.608 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.111 -5.518 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.354 -5.254 5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.626 -7.532 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.791 -7.258 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.519 -8.844 6.165 1.00 0.00 H new ATOM 928 N GLY A 65 10.347 -6.160 2.828 1.00 0.00 N ATOM 929 CA GLY A 65 11.592 -5.707 2.235 1.00 0.00 C ATOM 930 C GLY A 65 12.769 -5.846 3.179 1.00 0.00 C ATOM 931 O GLY A 65 12.632 -5.651 4.387 1.00 0.00 O ATOM 0 H GLY A 65 9.532 -5.589 2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.788 -6.279 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.490 -4.663 1.937 1.00 0.00 H new ATOM 935 N CYS A 66 13.931 -6.187 2.629 1.00 0.00 N ATOM 936 CA CYS A 66 15.136 -6.355 3.430 1.00 0.00 C ATOM 937 C CYS A 66 16.031 -5.123 3.331 1.00 0.00 C ATOM 938 O CYS A 66 16.976 -4.964 4.104 1.00 0.00 O ATOM 939 CB CYS A 66 15.906 -7.596 2.976 1.00 0.00 C ATOM 940 SG CYS A 66 16.542 -7.495 1.271 1.00 0.00 S ATOM 0 H CYS A 66 14.062 -6.352 1.631 1.00 0.00 H new ATOM 0 HA CYS A 66 14.836 -6.482 4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.743 -7.760 3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.254 -8.465 3.058 1.00 0.00 H new ATOM 0 HG CYS A 66 16.239 -8.584 0.629 1.00 0.00 H new ATOM 945 N THR A 67 15.726 -4.253 2.373 1.00 0.00 N ATOM 946 CA THR A 67 16.502 -3.036 2.171 1.00 0.00 C ATOM 947 C THR A 67 15.727 -1.807 2.633 1.00 0.00 C ATOM 948 O THR A 67 14.518 -1.869 2.853 1.00 0.00 O ATOM 949 CB THR A 67 16.892 -2.857 0.691 1.00 0.00 C ATOM 950 OG1 THR A 67 17.617 -4.004 0.234 1.00 0.00 O ATOM 951 CG2 THR A 67 17.738 -1.607 0.502 1.00 0.00 C ATOM 0 H THR A 67 14.947 -4.369 1.725 1.00 0.00 H new ATOM 0 HA THR A 67 17.408 -3.136 2.768 1.00 0.00 H new ATOM 0 HB THR A 67 15.978 -2.749 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.577 -3.806 0.236 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.001 -1.502 -0.550 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.172 -0.733 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.648 -1.690 1.097 1.00 0.00 H new ATOM 959 N LYS A 68 16.431 -0.689 2.778 1.00 0.00 N ATOM 960 CA LYS A 68 15.810 0.556 3.212 1.00 0.00 C ATOM 961 C LYS A 68 16.200 1.708 2.290 1.00 0.00 C ATOM 962 O LYS A 68 17.344 1.804 1.850 1.00 0.00 O ATOM 963 CB LYS A 68 16.219 0.880 4.651 1.00 0.00 C ATOM 964 CG LYS A 68 15.333 0.225 5.696 1.00 0.00 C ATOM 965 CD LYS A 68 14.082 1.045 5.960 1.00 0.00 C ATOM 966 CE LYS A 68 13.216 0.411 7.038 1.00 0.00 C ATOM 967 NZ LYS A 68 13.403 -1.065 7.102 1.00 0.00 N ATOM 0 H LYS A 68 17.433 -0.620 2.601 1.00 0.00 H new ATOM 0 HA LYS A 68 14.728 0.428 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.249 0.560 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.195 1.961 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.051 -0.773 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.892 0.104 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.364 2.053 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.507 1.140 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.460 0.850 8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.168 0.636 6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.640 -1.487 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.379 -1.460 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.321 -1.280 7.541 1.00 0.00 H new ATOM 981 N GLY A 69 15.238 2.582 2.004 1.00 0.00 N ATOM 982 CA GLY A 69 15.500 3.716 1.138 1.00 0.00 C ATOM 983 C GLY A 69 14.299 4.630 1.000 1.00 0.00 C ATOM 984 O GLY A 69 13.466 4.712 1.903 1.00 0.00 O ATOM 0 H GLY A 69 14.283 2.524 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.342 4.284 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.794 3.356 0.152 1.00 0.00 H new ATOM 988 N ARG A 70 14.210 5.320 -0.132 1.00 0.00 N ATOM 989 CA ARG A 70 13.104 6.236 -0.384 1.00 0.00 C ATOM 990 C ARG A 70 12.123 5.640 -1.390 1.00 0.00 C ATOM 991 O ARG A 70 12.515 5.212 -2.477 1.00 0.00 O ATOM 992 CB ARG A 70 13.629 7.576 -0.901 1.00 0.00 C ATOM 993 CG ARG A 70 14.908 8.032 -0.218 1.00 0.00 C ATOM 994 CD ARG A 70 15.354 9.396 -0.724 1.00 0.00 C ATOM 995 NE ARG A 70 16.795 9.589 -0.580 1.00 0.00 N ATOM 996 CZ ARG A 70 17.476 10.534 -1.217 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.853 11.368 -2.037 1.00 0.00 N ATOM 998 NH2 ARG A 70 18.785 10.647 -1.033 1.00 0.00 N ATOM 0 H ARG A 70 14.891 5.262 -0.890 1.00 0.00 H new ATOM 0 HA ARG A 70 12.580 6.399 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.808 7.498 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.861 8.336 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.751 8.076 0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.697 7.301 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.077 9.502 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.827 10.176 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 70 17.305 8.964 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.847 11.285 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.380 12.093 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.268 10.008 -0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.308 11.373 -1.523 1.00 0.00 H new ATOM 1012 N HIS A 71 10.847 5.614 -1.021 1.00 0.00 N ATOM 1013 CA HIS A 71 9.810 5.070 -1.891 1.00 0.00 C ATOM 1014 C HIS A 71 9.955 5.609 -3.311 1.00 0.00 C ATOM 1015 O HIS A 71 10.143 6.808 -3.513 1.00 0.00 O ATOM 1016 CB HIS A 71 8.424 5.410 -1.342 1.00 0.00 C ATOM 1017 CG HIS A 71 8.205 4.943 0.064 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.597 3.745 0.373 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.519 5.521 1.247 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.545 3.606 1.686 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.099 4.670 2.240 1.00 0.00 N ATOM 0 H HIS A 71 10.506 5.963 -0.125 1.00 0.00 H new ATOM 0 HA HIS A 71 9.925 3.986 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.281 6.490 -1.384 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.667 4.963 -1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.009 6.474 1.385 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.122 2.766 2.216 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.199 4.833 3.242 1.00 0.00 H new ATOM 1029 N ASN A 72 9.865 4.715 -4.290 1.00 0.00 N ATOM 1030 CA ASN A 72 9.987 5.102 -5.691 1.00 0.00 C ATOM 1031 C ASN A 72 8.618 5.407 -6.293 1.00 0.00 C ATOM 1032 O ASN A 72 7.830 4.500 -6.560 1.00 0.00 O ATOM 1033 CB ASN A 72 10.671 3.991 -6.490 1.00 0.00 C ATOM 1034 CG ASN A 72 12.155 3.890 -6.188 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.639 4.456 -5.207 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.882 3.168 -7.031 1.00 0.00 N ATOM 0 H ASN A 72 9.708 3.718 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 72 10.595 6.005 -5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.192 3.038 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.532 4.175 -7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.885 3.064 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.438 2.717 -7.831 1.00 0.00 H new ATOM 1043 N SER A 73 8.344 6.690 -6.504 1.00 0.00 N ATOM 1044 CA SER A 73 7.069 7.116 -7.071 1.00 0.00 C ATOM 1045 C SER A 73 7.044 6.893 -8.580 1.00 0.00 C ATOM 1046 O SER A 73 6.097 7.285 -9.260 1.00 0.00 O ATOM 1047 CB SER A 73 6.816 8.592 -6.758 1.00 0.00 C ATOM 1048 OG SER A 73 5.639 9.054 -7.399 1.00 0.00 O ATOM 0 H SER A 73 8.987 7.453 -6.291 1.00 0.00 H new ATOM 0 HA SER A 73 6.279 6.515 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.725 8.728 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.669 9.188 -7.083 1.00 0.00 H new ATOM 0 HG SER A 73 5.363 8.408 -8.082 1.00 0.00 H new ATOM 1054 N GLU A 74 8.094 6.260 -9.095 1.00 0.00 N ATOM 1055 CA GLU A 74 8.193 5.985 -10.524 1.00 0.00 C ATOM 1056 C GLU A 74 8.545 4.522 -10.773 1.00 0.00 C ATOM 1057 O GLU A 74 9.450 3.972 -10.143 1.00 0.00 O ATOM 1058 CB GLU A 74 9.245 6.891 -11.168 1.00 0.00 C ATOM 1059 CG GLU A 74 8.771 8.320 -11.378 1.00 0.00 C ATOM 1060 CD GLU A 74 9.721 9.128 -12.240 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.484 8.517 -13.017 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.701 10.373 -12.137 1.00 0.00 O ATOM 0 H GLU A 74 8.887 5.929 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 74 7.222 6.189 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.137 6.901 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.536 6.469 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.785 8.307 -11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.660 8.808 -10.410 1.00 0.00 H new ATOM 1069 N LYS A 75 7.825 3.895 -11.697 1.00 0.00 N ATOM 1070 CA LYS A 75 8.058 2.495 -12.032 1.00 0.00 C ATOM 1071 C LYS A 75 9.544 2.229 -12.247 1.00 0.00 C ATOM 1072 O LYS A 75 9.903 1.584 -13.231 1.00 0.00 O ATOM 1073 CB LYS A 75 7.273 2.112 -13.288 1.00 0.00 C ATOM 1074 CG LYS A 75 5.851 1.661 -13.003 1.00 0.00 C ATOM 1075 CD LYS A 75 5.786 0.170 -12.716 1.00 0.00 C ATOM 1076 CE LYS A 75 4.351 -0.299 -12.529 1.00 0.00 C ATOM 1077 NZ LYS A 75 4.286 -1.649 -11.902 1.00 0.00 N ATOM 0 H LYS A 75 7.074 4.335 -12.228 1.00 0.00 H new ATOM 0 HA LYS A 75 7.714 1.885 -11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.245 2.967 -13.964 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.802 1.312 -13.807 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.457 2.214 -12.150 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.216 1.896 -13.857 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.246 -0.380 -13.537 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.363 -0.055 -11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.813 0.417 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.848 -0.323 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.292 -1.933 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.777 -2.337 -12.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.744 -1.621 -10.969 1.00 0.00 H new