USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 749 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 43 MET CE :methyl -127:sc= -5.83! (180deg=-11.2!) USER MOD Set 1.2: A 102 HIS : no HD1:sc= -8.61 K(o=-14,f=-19!) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.103 K(o=0.81,f=-1.3) USER MOD Set 2.2: A 23 ASN : amide:sc= 0.71 K(o=0.81,f=-0.62) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 22 GLN : amide:sc= -4.87! C(o=-4.9!,f=-5.3!) USER MOD Single : A 24 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.6) USER MOD Single : A 32 SER OG : rot -53:sc= -0.82 USER MOD Single : A 33 MET CE :methyl -167:sc= -0.722 (180deg=-0.994) USER MOD Single : A 36 SER OG : rot 180:sc= -0.475 USER MOD Single : A 38 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.96) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 15:sc= -1.11 USER MOD Single : A 50 SER OG : rot 74:sc= 0.723 USER MOD Single : A 53 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= 0.9 (180deg=0.317) USER MOD Single : A 63 THR OG1 : rot 170:sc= -1.02 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.874 F(o=-3,f=-0.87) USER MOD Single : A 66 MET CE :methyl 172:sc= -3.84! (180deg=-4.34!) USER MOD Single : A 68 SER OG : rot 170:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.21) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= -0.382 (180deg=-1.59!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -22:sc= 0.693 USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.212) USER MOD Single : A 94 GLN : amide:sc= 0.613 K(o=0.61,f=-0.12) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= -2.24 (180deg=-3.31!) USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= -0.323 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 7 191.057 7.673 5.063 1.00 0.00 N ATOM 76 CA SER A 7 190.464 8.024 3.778 1.00 0.00 C ATOM 77 C SER A 7 190.224 6.779 2.930 1.00 0.00 C ATOM 78 O SER A 7 189.287 6.729 2.133 1.00 0.00 O ATOM 79 CB SER A 7 191.368 9.001 3.025 1.00 0.00 C ATOM 80 OG SER A 7 191.084 10.342 3.387 1.00 0.00 O ATOM 0 HA SER A 7 189.503 8.502 3.969 1.00 0.00 H new ATOM 0 HB2 SER A 7 192.412 8.776 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 7 191.231 8.874 1.951 1.00 0.00 H new ATOM 0 HG SER A 7 191.676 10.947 2.893 1.00 0.00 H new ATOM 86 N THR A 8 191.076 5.774 3.109 1.00 0.00 N ATOM 87 CA THR A 8 190.958 4.527 2.362 1.00 0.00 C ATOM 88 C THR A 8 189.592 3.888 2.587 1.00 0.00 C ATOM 89 O THR A 8 189.032 3.263 1.687 1.00 0.00 O ATOM 90 CB THR A 8 192.064 3.553 2.773 1.00 0.00 C ATOM 91 OG1 THR A 8 193.340 4.146 2.608 1.00 0.00 O ATOM 92 CG2 THR A 8 192.050 2.264 1.980 1.00 0.00 C ATOM 0 H THR A 8 191.856 5.799 3.766 1.00 0.00 H new ATOM 0 HA THR A 8 191.063 4.756 1.302 1.00 0.00 H new ATOM 0 HB THR A 8 191.870 3.319 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 8 194.034 3.509 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 8 192.859 1.618 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 8 191.096 1.758 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 8 192.185 2.487 0.922 1.00 0.00 H new ATOM 100 N ALA A 9 189.057 4.053 3.792 1.00 0.00 N ATOM 101 CA ALA A 9 187.753 3.497 4.129 1.00 0.00 C ATOM 102 C ALA A 9 186.691 3.976 3.145 1.00 0.00 C ATOM 103 O ALA A 9 185.710 3.279 2.883 1.00 0.00 O ATOM 104 CB ALA A 9 187.367 3.872 5.551 1.00 0.00 C ATOM 0 H ALA A 9 189.506 4.567 4.550 1.00 0.00 H new ATOM 0 HA ALA A 9 187.817 2.411 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 9 186.391 3.449 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 9 188.110 3.479 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 9 187.324 4.957 5.642 1.00 0.00 H new ATOM 110 N LEU A 10 186.900 5.170 2.599 1.00 0.00 N ATOM 111 CA LEU A 10 185.970 5.745 1.636 1.00 0.00 C ATOM 112 C LEU A 10 186.042 4.994 0.314 1.00 0.00 C ATOM 113 O LEU A 10 185.026 4.530 -0.203 1.00 0.00 O ATOM 114 CB LEU A 10 186.286 7.226 1.417 1.00 0.00 C ATOM 115 CG LEU A 10 185.467 7.912 0.322 1.00 0.00 C ATOM 116 CD1 LEU A 10 185.369 9.406 0.588 1.00 0.00 C ATOM 117 CD2 LEU A 10 186.081 7.653 -1.045 1.00 0.00 C ATOM 0 H LEU A 10 187.707 5.758 2.808 1.00 0.00 H new ATOM 0 HA LEU A 10 184.959 5.654 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 10 186.126 7.758 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 10 187.344 7.323 1.172 1.00 0.00 H new ATOM 0 HG LEU A 10 184.461 7.493 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 184.783 9.878 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 10 184.884 9.573 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 10 186.369 9.839 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 10 185.485 8.149 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 10 187.098 8.044 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 10 186.100 6.580 -1.238 1.00 0.00 H new ATOM 129 N ARG A 11 187.251 4.867 -0.223 1.00 0.00 N ATOM 130 CA ARG A 11 187.451 4.158 -1.479 1.00 0.00 C ATOM 131 C ARG A 11 186.858 2.754 -1.395 1.00 0.00 C ATOM 132 O ARG A 11 186.493 2.157 -2.407 1.00 0.00 O ATOM 133 CB ARG A 11 188.944 4.089 -1.824 1.00 0.00 C ATOM 134 CG ARG A 11 189.747 3.153 -0.930 1.00 0.00 C ATOM 135 CD ARG A 11 190.789 2.379 -1.723 1.00 0.00 C ATOM 136 NE ARG A 11 192.147 2.651 -1.255 1.00 0.00 N ATOM 137 CZ ARG A 11 192.803 3.783 -1.503 1.00 0.00 C ATOM 138 NH1 ARG A 11 192.230 4.749 -2.211 1.00 0.00 N ATOM 139 NH2 ARG A 11 194.035 3.949 -1.042 1.00 0.00 N ATOM 0 H ARG A 11 188.103 5.245 0.191 1.00 0.00 H new ATOM 0 HA ARG A 11 186.939 4.705 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 11 189.052 3.766 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 11 189.368 5.091 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 11 190.239 3.730 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 11 189.073 2.454 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 11 190.585 1.311 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 11 190.710 2.641 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 11 192.619 1.932 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 11 191.282 4.626 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 11 192.737 5.614 -2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 11 194.480 3.210 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 11 194.538 4.816 -1.232 1.00 0.00 H new ATOM 153 N GLU A 12 186.764 2.236 -0.173 1.00 0.00 N ATOM 154 CA GLU A 12 186.215 0.909 0.057 1.00 0.00 C ATOM 155 C GLU A 12 184.749 0.840 -0.357 1.00 0.00 C ATOM 156 O GLU A 12 184.364 -0.020 -1.151 1.00 0.00 O ATOM 157 CB GLU A 12 186.364 0.521 1.531 1.00 0.00 C ATOM 158 CG GLU A 12 187.439 -0.526 1.777 1.00 0.00 C ATOM 159 CD GLU A 12 187.534 -0.932 3.235 1.00 0.00 C ATOM 160 OE1 GLU A 12 187.069 -0.158 4.098 1.00 0.00 O ATOM 161 OE2 GLU A 12 188.073 -2.023 3.514 1.00 0.00 O ATOM 0 H GLU A 12 187.063 2.720 0.674 1.00 0.00 H new ATOM 0 HA GLU A 12 186.775 0.203 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 12 186.598 1.413 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 12 185.409 0.143 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 12 187.228 -1.407 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 12 188.403 -0.136 1.449 1.00 0.00 H new ATOM 168 N LEU A 13 183.927 1.746 0.174 1.00 0.00 N ATOM 169 CA LEU A 13 182.512 1.754 -0.162 1.00 0.00 C ATOM 170 C LEU A 13 182.306 2.211 -1.602 1.00 0.00 C ATOM 171 O LEU A 13 181.377 1.770 -2.278 1.00 0.00 O ATOM 172 CB LEU A 13 181.743 2.648 0.824 1.00 0.00 C ATOM 173 CG LEU A 13 180.988 3.834 0.216 1.00 0.00 C ATOM 174 CD1 LEU A 13 179.767 3.359 -0.555 1.00 0.00 C ATOM 175 CD2 LEU A 13 180.578 4.810 1.306 1.00 0.00 C ATOM 0 H LEU A 13 184.216 2.472 0.829 1.00 0.00 H new ATOM 0 HA LEU A 13 182.121 0.740 -0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 181.028 2.027 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 13 182.449 3.033 1.560 1.00 0.00 H new ATOM 0 HG LEU A 13 181.654 4.344 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 13 179.247 4.218 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 13 180.081 2.693 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 13 179.097 2.824 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 13 180.042 5.648 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 179.930 4.304 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 181.467 5.178 1.818 1.00 0.00 H new ATOM 187 N ILE A 14 183.179 3.098 -2.062 1.00 0.00 N ATOM 188 CA ILE A 14 183.094 3.620 -3.413 1.00 0.00 C ATOM 189 C ILE A 14 183.266 2.517 -4.456 1.00 0.00 C ATOM 190 O ILE A 14 182.376 2.284 -5.263 1.00 0.00 O ATOM 191 CB ILE A 14 184.148 4.734 -3.637 1.00 0.00 C ATOM 192 CG1 ILE A 14 183.512 6.110 -3.429 1.00 0.00 C ATOM 193 CG2 ILE A 14 184.774 4.643 -5.023 1.00 0.00 C ATOM 194 CD1 ILE A 14 182.940 6.309 -2.043 1.00 0.00 C ATOM 0 H ILE A 14 183.955 3.470 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 14 182.098 4.045 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 14 184.944 4.594 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 14 184.261 6.879 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 14 182.719 6.249 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 14 185.508 5.440 -5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 14 185.265 3.677 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 14 183.997 4.747 -5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 14 182.506 7.306 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 14 182.168 5.562 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 14 183.733 6.202 -1.303 1.00 0.00 H new ATOM 206 N GLU A 15 184.423 1.862 -4.451 1.00 0.00 N ATOM 207 CA GLU A 15 184.715 0.809 -5.424 1.00 0.00 C ATOM 208 C GLU A 15 183.870 -0.445 -5.210 1.00 0.00 C ATOM 209 O GLU A 15 183.429 -1.070 -6.172 1.00 0.00 O ATOM 210 CB GLU A 15 186.199 0.441 -5.373 1.00 0.00 C ATOM 211 CG GLU A 15 187.124 1.644 -5.403 1.00 0.00 C ATOM 212 CD GLU A 15 187.007 2.439 -6.689 1.00 0.00 C ATOM 213 OE1 GLU A 15 185.880 2.857 -7.027 1.00 0.00 O ATOM 214 OE2 GLU A 15 188.042 2.643 -7.357 1.00 0.00 O ATOM 0 H GLU A 15 185.175 2.040 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 15 184.461 1.209 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 15 186.392 -0.133 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 15 186.433 -0.208 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 15 186.897 2.293 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.154 1.309 -5.280 1.00 0.00 H new ATOM 221 N GLU A 16 183.663 -0.824 -3.957 1.00 0.00 N ATOM 222 CA GLU A 16 182.888 -2.017 -3.643 1.00 0.00 C ATOM 223 C GLU A 16 181.440 -1.890 -4.101 1.00 0.00 C ATOM 224 O GLU A 16 180.899 -2.773 -4.779 1.00 0.00 O ATOM 225 CB GLU A 16 182.921 -2.259 -2.140 1.00 0.00 C ATOM 226 CG GLU A 16 182.558 -3.679 -1.742 1.00 0.00 C ATOM 227 CD GLU A 16 183.755 -4.473 -1.257 1.00 0.00 C ATOM 228 OE1 GLU A 16 184.695 -3.857 -0.712 1.00 0.00 O ATOM 229 OE2 GLU A 16 183.752 -5.711 -1.424 1.00 0.00 O ATOM 0 H GLU A 16 184.020 -0.324 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 16 183.336 -2.856 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 16 183.919 -2.030 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 16 182.232 -1.568 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 16 181.803 -3.650 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 16 182.110 -4.188 -2.595 1.00 0.00 H new ATOM 236 N LEU A 17 180.816 -0.788 -3.718 1.00 0.00 N ATOM 237 CA LEU A 17 179.432 -0.538 -4.065 1.00 0.00 C ATOM 238 C LEU A 17 179.307 -0.200 -5.537 1.00 0.00 C ATOM 239 O LEU A 17 178.293 -0.495 -6.171 1.00 0.00 O ATOM 240 CB LEU A 17 178.867 0.588 -3.198 1.00 0.00 C ATOM 241 CG LEU A 17 178.822 0.307 -1.687 1.00 0.00 C ATOM 242 CD1 LEU A 17 177.570 0.912 -1.074 1.00 0.00 C ATOM 243 CD2 LEU A 17 178.875 -1.188 -1.397 1.00 0.00 C ATOM 0 H LEU A 17 181.251 -0.051 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 17 178.853 -1.442 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 17 179.464 1.485 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 177.856 0.811 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 17 179.700 0.770 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 17 177.552 0.705 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 17 177.571 1.990 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 176.688 0.476 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 17 178.841 -1.351 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 178.022 -1.680 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 17 179.799 -1.604 -1.798 1.00 0.00 H new ATOM 255 N VAL A 18 180.351 0.403 -6.090 1.00 0.00 N ATOM 256 CA VAL A 18 180.340 0.745 -7.494 1.00 0.00 C ATOM 257 C VAL A 18 180.382 -0.527 -8.327 1.00 0.00 C ATOM 258 O VAL A 18 179.793 -0.607 -9.403 1.00 0.00 O ATOM 259 CB VAL A 18 181.511 1.684 -7.875 1.00 0.00 C ATOM 260 CG1 VAL A 18 182.653 0.933 -8.549 1.00 0.00 C ATOM 261 CG2 VAL A 18 181.016 2.815 -8.764 1.00 0.00 C ATOM 0 H VAL A 18 181.202 0.660 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 18 179.418 1.288 -7.701 1.00 0.00 H new ATOM 0 HB VAL A 18 181.905 2.106 -6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 18 183.451 1.632 -8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 18 183.037 0.170 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 18 182.289 0.459 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 18 181.851 3.466 -9.023 1.00 0.00 H new ATOM 0 HG22 VAL A 18 180.584 2.400 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 18 180.258 3.391 -8.232 1.00 0.00 H new ATOM 271 N ASN A 19 181.083 -1.522 -7.801 1.00 0.00 N ATOM 272 CA ASN A 19 181.214 -2.808 -8.465 1.00 0.00 C ATOM 273 C ASN A 19 179.891 -3.567 -8.448 1.00 0.00 C ATOM 274 O ASN A 19 179.419 -4.020 -9.488 1.00 0.00 O ATOM 275 CB ASN A 19 182.304 -3.645 -7.792 1.00 0.00 C ATOM 276 CG ASN A 19 182.569 -4.946 -8.524 1.00 0.00 C ATOM 277 OD1 ASN A 19 183.289 -4.975 -9.522 1.00 0.00 O ATOM 278 ND2 ASN A 19 181.986 -6.032 -8.030 1.00 0.00 N ATOM 0 H ASN A 19 181.573 -1.460 -6.909 1.00 0.00 H new ATOM 0 HA ASN A 19 181.494 -2.626 -9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 19 183.225 -3.065 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 19 182.009 -3.862 -6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 19 182.127 -6.936 -8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 19 181.397 -5.962 -7.200 1.00 0.00 H new ATOM 285 N ILE A 20 179.294 -3.711 -7.265 1.00 0.00 N ATOM 286 CA ILE A 20 178.038 -4.421 -7.140 1.00 0.00 C ATOM 287 C ILE A 20 176.934 -3.770 -7.969 1.00 0.00 C ATOM 288 O ILE A 20 176.076 -4.457 -8.523 1.00 0.00 O ATOM 289 CB ILE A 20 177.595 -4.491 -5.670 1.00 0.00 C ATOM 290 CG1 ILE A 20 177.257 -3.094 -5.135 1.00 0.00 C ATOM 291 CG2 ILE A 20 178.673 -5.152 -4.822 1.00 0.00 C ATOM 292 CD1 ILE A 20 177.037 -3.053 -3.637 1.00 0.00 C ATOM 0 H ILE A 20 179.664 -3.344 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 20 178.205 -5.429 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 20 176.692 -5.099 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 20 178.065 -2.410 -5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 20 176.360 -2.730 -5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 20 178.344 -5.194 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 20 178.854 -6.163 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 20 179.594 -4.573 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 20 176.802 -2.033 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 20 176.209 -3.711 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 20 177.941 -3.385 -3.127 1.00 0.00 H new ATOM 304 N THR A 21 176.950 -2.444 -8.037 1.00 0.00 N ATOM 305 CA THR A 21 175.937 -1.705 -8.785 1.00 0.00 C ATOM 306 C THR A 21 176.322 -1.526 -10.253 1.00 0.00 C ATOM 307 O THR A 21 175.460 -1.545 -11.132 1.00 0.00 O ATOM 308 CB THR A 21 175.701 -0.337 -8.142 1.00 0.00 C ATOM 309 OG1 THR A 21 174.589 0.310 -8.734 1.00 0.00 O ATOM 310 CG2 THR A 21 176.889 0.595 -8.258 1.00 0.00 C ATOM 0 H THR A 21 177.652 -1.858 -7.584 1.00 0.00 H new ATOM 0 HA THR A 21 175.019 -2.291 -8.752 1.00 0.00 H new ATOM 0 HB THR A 21 175.524 -0.543 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 21 174.453 1.182 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 21 176.653 1.546 -7.781 1.00 0.00 H new ATOM 0 HG22 THR A 21 177.752 0.147 -7.766 1.00 0.00 H new ATOM 0 HG23 THR A 21 177.118 0.763 -9.310 1.00 0.00 H new ATOM 318 N GLN A 22 177.612 -1.334 -10.518 1.00 0.00 N ATOM 319 CA GLN A 22 178.081 -1.132 -11.887 1.00 0.00 C ATOM 320 C GLN A 22 178.778 -2.373 -12.443 1.00 0.00 C ATOM 321 O GLN A 22 179.967 -2.339 -12.761 1.00 0.00 O ATOM 322 CB GLN A 22 179.027 0.070 -11.954 1.00 0.00 C ATOM 323 CG GLN A 22 178.521 1.285 -11.193 1.00 0.00 C ATOM 324 CD GLN A 22 179.368 2.519 -11.437 1.00 0.00 C ATOM 325 OE1 GLN A 22 180.339 2.480 -12.192 1.00 0.00 O ATOM 326 NE2 GLN A 22 179.002 3.624 -10.796 1.00 0.00 N ATOM 0 H GLN A 22 178.346 -1.314 -9.810 1.00 0.00 H new ATOM 0 HA GLN A 22 177.203 -0.939 -12.504 1.00 0.00 H new ATOM 0 HB2 GLN A 22 179.999 -0.220 -11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 22 179.181 0.343 -12.998 1.00 0.00 H new ATOM 0 HG2 GLN A 22 177.492 1.491 -11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 22 178.509 1.062 -10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 22 178.190 3.611 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 22 179.533 4.486 -10.921 1.00 0.00 H new ATOM 335 N ASN A 23 178.026 -3.460 -12.576 1.00 0.00 N ATOM 336 CA ASN A 23 178.570 -4.703 -13.115 1.00 0.00 C ATOM 337 C ASN A 23 177.571 -5.359 -14.067 1.00 0.00 C ATOM 338 O ASN A 23 177.647 -5.177 -15.282 1.00 0.00 O ATOM 339 CB ASN A 23 178.941 -5.665 -11.982 1.00 0.00 C ATOM 340 CG ASN A 23 180.438 -5.853 -11.853 1.00 0.00 C ATOM 341 OD1 ASN A 23 180.996 -6.845 -12.324 1.00 0.00 O ATOM 342 ND2 ASN A 23 181.097 -4.898 -11.212 1.00 0.00 N ATOM 0 H ASN A 23 177.040 -3.507 -12.319 1.00 0.00 H new ATOM 0 HA ASN A 23 179.474 -4.466 -13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 23 178.543 -5.285 -11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 23 178.470 -6.632 -12.161 1.00 0.00 H new ATOM 0 HD21 ASN A 23 182.108 -4.968 -11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 23 180.593 -4.094 -10.838 1.00 0.00 H new ATOM 349 N GLN A 24 176.632 -6.118 -13.509 1.00 0.00 N ATOM 350 CA GLN A 24 175.618 -6.794 -14.305 1.00 0.00 C ATOM 351 C GLN A 24 174.330 -5.968 -14.352 1.00 0.00 C ATOM 352 O GLN A 24 174.202 -5.051 -15.162 1.00 0.00 O ATOM 353 CB GLN A 24 175.354 -8.180 -13.728 1.00 0.00 C ATOM 354 CG GLN A 24 176.038 -9.281 -14.509 1.00 0.00 C ATOM 355 CD GLN A 24 175.685 -9.262 -15.984 1.00 0.00 C ATOM 356 OE1 GLN A 24 176.368 -8.629 -16.789 1.00 0.00 O ATOM 357 NE2 GLN A 24 174.614 -9.958 -16.344 1.00 0.00 N ATOM 0 H GLN A 24 176.554 -6.279 -12.505 1.00 0.00 H new ATOM 0 HA GLN A 24 175.981 -6.902 -15.327 1.00 0.00 H new ATOM 0 HB2 GLN A 24 175.696 -8.209 -12.693 1.00 0.00 H new ATOM 0 HB3 GLN A 24 174.280 -8.364 -13.714 1.00 0.00 H new ATOM 0 HG2 GLN A 24 177.118 -9.183 -14.397 1.00 0.00 H new ATOM 0 HG3 GLN A 24 175.760 -10.247 -14.086 1.00 0.00 H new ATOM 0 HE21 GLN A 24 174.078 -10.468 -15.642 1.00 0.00 H new ATOM 0 HE22 GLN A 24 174.327 -9.983 -17.323 1.00 0.00 H new ATOM 366 N LYS A 25 173.392 -6.283 -13.463 1.00 0.00 N ATOM 367 CA LYS A 25 172.133 -5.560 -13.381 1.00 0.00 C ATOM 368 C LYS A 25 172.012 -4.894 -12.014 1.00 0.00 C ATOM 369 O LYS A 25 171.045 -4.184 -11.736 1.00 0.00 O ATOM 370 CB LYS A 25 170.954 -6.507 -13.612 1.00 0.00 C ATOM 371 CG LYS A 25 170.959 -7.161 -14.984 1.00 0.00 C ATOM 372 CD LYS A 25 169.572 -7.645 -15.376 1.00 0.00 C ATOM 373 CE LYS A 25 169.634 -8.971 -16.117 1.00 0.00 C ATOM 374 NZ LYS A 25 168.404 -9.783 -15.906 1.00 0.00 N ATOM 0 H LYS A 25 173.484 -7.040 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 25 172.115 -4.795 -14.157 1.00 0.00 H new ATOM 0 HB2 LYS A 25 170.968 -7.284 -12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 25 170.024 -5.953 -13.486 1.00 0.00 H new ATOM 0 HG2 LYS A 25 171.320 -6.449 -15.726 1.00 0.00 H new ATOM 0 HG3 LYS A 25 171.653 -8.002 -14.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 168.958 -7.755 -14.482 1.00 0.00 H new ATOM 0 HD3 LYS A 25 169.089 -6.897 -16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 25 169.768 -8.785 -17.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 170.504 -9.535 -15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 168.486 -10.679 -16.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 168.289 -9.982 -14.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 167.577 -9.256 -16.251 1.00 0.00 H new ATOM 388 N ALA A 26 173.013 -5.137 -11.164 1.00 0.00 N ATOM 389 CA ALA A 26 173.052 -4.576 -9.816 1.00 0.00 C ATOM 390 C ALA A 26 172.156 -5.353 -8.851 1.00 0.00 C ATOM 391 O ALA A 26 171.478 -4.757 -8.017 1.00 0.00 O ATOM 392 CB ALA A 26 172.659 -3.104 -9.835 1.00 0.00 C ATOM 0 H ALA A 26 173.814 -5.726 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 26 174.078 -4.663 -9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 26 172.694 -2.705 -8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 173.353 -2.550 -10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 26 171.648 -3.002 -10.230 1.00 0.00 H new ATOM 398 N PRO A 27 172.143 -6.698 -8.942 1.00 0.00 N ATOM 399 CA PRO A 27 171.330 -7.550 -8.069 1.00 0.00 C ATOM 400 C PRO A 27 172.019 -7.847 -6.740 1.00 0.00 C ATOM 401 O PRO A 27 172.991 -7.186 -6.374 1.00 0.00 O ATOM 402 CB PRO A 27 171.209 -8.812 -8.901 1.00 0.00 C ATOM 403 CG PRO A 27 172.566 -8.918 -9.457 1.00 0.00 C ATOM 404 CD PRO A 27 172.914 -7.522 -9.896 1.00 0.00 C ATOM 0 HA PRO A 27 170.381 -7.093 -7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 27 170.943 -9.679 -8.297 1.00 0.00 H new ATOM 0 HB3 PRO A 27 170.451 -8.721 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 27 173.271 -9.285 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 27 172.597 -9.615 -10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 27 173.985 -7.329 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 27 172.619 -7.334 -10.928 1.00 0.00 H new ATOM 412 N LEU A 28 171.516 -8.848 -6.025 1.00 0.00 N ATOM 413 CA LEU A 28 172.090 -9.234 -4.742 1.00 0.00 C ATOM 414 C LEU A 28 171.985 -10.741 -4.535 1.00 0.00 C ATOM 415 O LEU A 28 172.954 -11.475 -4.728 1.00 0.00 O ATOM 416 CB LEU A 28 171.395 -8.489 -3.597 1.00 0.00 C ATOM 417 CG LEU A 28 171.793 -8.936 -2.186 1.00 0.00 C ATOM 418 CD1 LEU A 28 173.295 -9.162 -2.093 1.00 0.00 C ATOM 419 CD2 LEU A 28 171.343 -7.909 -1.156 1.00 0.00 C ATOM 0 H LEU A 28 170.712 -9.406 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 28 173.145 -8.961 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 28 171.608 -7.425 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 28 170.317 -8.610 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 28 171.294 -9.882 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 28 173.553 -9.479 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 28 173.591 -9.935 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 28 173.818 -8.235 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 28 171.633 -8.242 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 28 171.814 -6.949 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 28 170.259 -7.800 -1.201 1.00 0.00 H new ATOM 431 N CYS A 29 170.803 -11.192 -4.142 1.00 0.00 N ATOM 432 CA CYS A 29 170.563 -12.612 -3.908 1.00 0.00 C ATOM 433 C CYS A 29 169.642 -13.201 -4.975 1.00 0.00 C ATOM 434 O CYS A 29 169.048 -14.261 -4.778 1.00 0.00 O ATOM 435 CB CYS A 29 169.961 -12.823 -2.517 1.00 0.00 C ATOM 436 SG CYS A 29 171.125 -13.526 -1.304 1.00 0.00 S ATOM 0 H CYS A 29 169.992 -10.595 -3.978 1.00 0.00 H new ATOM 0 HA CYS A 29 171.520 -13.130 -3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 29 169.595 -11.867 -2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 29 169.098 -13.484 -2.602 1.00 0.00 H new ATOM 441 N ASN A 30 169.533 -12.512 -6.109 1.00 0.00 N ATOM 442 CA ASN A 30 168.692 -12.970 -7.211 1.00 0.00 C ATOM 443 C ASN A 30 167.297 -13.362 -6.727 1.00 0.00 C ATOM 444 O ASN A 30 166.805 -14.448 -7.035 1.00 0.00 O ATOM 445 CB ASN A 30 169.353 -14.154 -7.919 1.00 0.00 C ATOM 446 CG ASN A 30 168.564 -14.622 -9.126 1.00 0.00 C ATOM 447 OD1 ASN A 30 167.756 -13.878 -9.681 1.00 0.00 O ATOM 448 ND2 ASN A 30 168.796 -15.863 -9.540 1.00 0.00 N ATOM 0 H ASN A 30 170.018 -11.633 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 30 168.582 -12.143 -7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 30 170.358 -13.871 -8.233 1.00 0.00 H new ATOM 0 HB3 ASN A 30 169.460 -14.980 -7.216 1.00 0.00 H new ATOM 0 HD21 ASN A 30 168.295 -16.233 -10.348 1.00 0.00 H new ATOM 0 HD22 ASN A 30 169.475 -16.446 -9.050 1.00 0.00 H new ATOM 455 N GLY A 31 166.659 -12.470 -5.975 1.00 0.00 N ATOM 456 CA GLY A 31 165.324 -12.746 -5.473 1.00 0.00 C ATOM 457 C GLY A 31 165.246 -12.737 -3.958 1.00 0.00 C ATOM 458 O GLY A 31 165.246 -13.791 -3.323 1.00 0.00 O ATOM 0 H GLY A 31 167.041 -11.564 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 31 164.632 -12.004 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 31 164.997 -13.718 -5.842 1.00 0.00 H new ATOM 462 N SER A 32 165.169 -11.542 -3.379 1.00 0.00 N ATOM 463 CA SER A 32 165.079 -11.394 -1.929 1.00 0.00 C ATOM 464 C SER A 32 164.696 -9.966 -1.555 1.00 0.00 C ATOM 465 O SER A 32 165.504 -9.046 -1.671 1.00 0.00 O ATOM 466 CB SER A 32 166.404 -11.762 -1.262 1.00 0.00 C ATOM 467 OG SER A 32 167.074 -12.788 -1.975 1.00 0.00 O ATOM 0 H SER A 32 165.167 -10.661 -3.892 1.00 0.00 H new ATOM 0 HA SER A 32 164.304 -12.073 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 32 167.042 -10.880 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 32 166.220 -12.089 -0.239 1.00 0.00 H new ATOM 0 HG SER A 32 166.470 -13.550 -2.096 1.00 0.00 H new ATOM 473 N MET A 33 163.460 -9.789 -1.104 1.00 0.00 N ATOM 474 CA MET A 33 162.969 -8.478 -0.714 1.00 0.00 C ATOM 475 C MET A 33 163.868 -7.848 0.343 1.00 0.00 C ATOM 476 O MET A 33 164.630 -8.539 1.019 1.00 0.00 O ATOM 477 CB MET A 33 161.543 -8.593 -0.186 1.00 0.00 C ATOM 478 CG MET A 33 160.633 -9.441 -1.059 1.00 0.00 C ATOM 479 SD MET A 33 160.589 -8.878 -2.772 1.00 0.00 S ATOM 480 CE MET A 33 160.310 -7.124 -2.545 1.00 0.00 C ATOM 0 H MET A 33 162.779 -10.541 -1.000 1.00 0.00 H new ATOM 0 HA MET A 33 162.977 -7.835 -1.594 1.00 0.00 H new ATOM 0 HB2 MET A 33 161.570 -9.020 0.817 1.00 0.00 H new ATOM 0 HB3 MET A 33 161.117 -7.594 -0.096 1.00 0.00 H new ATOM 0 HG2 MET A 33 160.971 -10.477 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A 33 159.623 -9.423 -0.649 1.00 0.00 H new ATOM 0 HE1 MET A 33 160.030 -6.674 -3.497 1.00 0.00 H new ATOM 0 HE2 MET A 33 159.508 -6.974 -1.823 1.00 0.00 H new ATOM 0 HE3 MET A 33 161.222 -6.655 -2.176 1.00 0.00 H new ATOM 490 N VAL A 34 163.778 -6.530 0.474 1.00 0.00 N ATOM 491 CA VAL A 34 164.592 -5.803 1.446 1.00 0.00 C ATOM 492 C VAL A 34 163.806 -4.673 2.113 1.00 0.00 C ATOM 493 O VAL A 34 162.620 -4.481 1.845 1.00 0.00 O ATOM 494 CB VAL A 34 165.870 -5.216 0.802 1.00 0.00 C ATOM 495 CG1 VAL A 34 167.110 -5.915 1.339 1.00 0.00 C ATOM 496 CG2 VAL A 34 165.819 -5.317 -0.718 1.00 0.00 C ATOM 0 H VAL A 34 163.152 -5.943 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 34 164.879 -6.532 2.204 1.00 0.00 H new ATOM 0 HB VAL A 34 165.922 -4.160 1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 34 167.999 -5.488 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 34 167.165 -5.779 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 167.056 -6.979 1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 34 166.731 -4.896 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 34 165.732 -6.363 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 34 164.957 -4.764 -1.091 1.00 0.00 H new ATOM 506 N TRP A 35 164.482 -3.935 2.992 1.00 0.00 N ATOM 507 CA TRP A 35 163.864 -2.825 3.719 1.00 0.00 C ATOM 508 C TRP A 35 164.321 -1.467 3.178 1.00 0.00 C ATOM 509 O TRP A 35 163.772 -0.429 3.543 1.00 0.00 O ATOM 510 CB TRP A 35 164.216 -2.925 5.202 1.00 0.00 C ATOM 511 CG TRP A 35 163.026 -2.963 6.110 1.00 0.00 C ATOM 512 CD1 TRP A 35 162.933 -3.625 7.299 1.00 0.00 C ATOM 513 CD2 TRP A 35 161.764 -2.311 5.913 1.00 0.00 C ATOM 514 NE1 TRP A 35 161.695 -3.425 7.855 1.00 0.00 N ATOM 515 CE2 TRP A 35 160.958 -2.624 7.024 1.00 0.00 C ATOM 516 CE3 TRP A 35 161.236 -1.493 4.909 1.00 0.00 C ATOM 517 CZ2 TRP A 35 159.655 -2.148 7.158 1.00 0.00 C ATOM 518 CZ3 TRP A 35 159.944 -1.023 5.044 1.00 0.00 C ATOM 519 CH2 TRP A 35 159.166 -1.351 6.160 1.00 0.00 C ATOM 0 H TRP A 35 165.465 -4.087 3.220 1.00 0.00 H new ATOM 0 HA TRP A 35 162.785 -2.896 3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 35 164.812 -3.823 5.363 1.00 0.00 H new ATOM 0 HB3 TRP A 35 164.841 -2.075 5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 35 163.720 -4.220 7.739 1.00 0.00 H new ATOM 0 HE1 TRP A 35 161.375 -3.810 8.744 1.00 0.00 H new ATOM 0 HE3 TRP A 35 161.828 -1.233 4.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 159.053 -2.399 8.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 159.527 -0.391 4.274 1.00 0.00 H new ATOM 0 HH2 TRP A 35 158.159 -0.967 6.235 1.00 0.00 H new ATOM 530 N SER A 36 165.335 -1.487 2.319 1.00 0.00 N ATOM 531 CA SER A 36 165.886 -0.269 1.724 1.00 0.00 C ATOM 532 C SER A 36 166.663 0.550 2.746 1.00 0.00 C ATOM 533 O SER A 36 166.661 0.249 3.939 1.00 0.00 O ATOM 534 CB SER A 36 164.780 0.585 1.110 1.00 0.00 C ATOM 535 OG SER A 36 165.268 1.861 0.734 1.00 0.00 O ATOM 0 H SER A 36 165.798 -2.343 2.015 1.00 0.00 H new ATOM 0 HA SER A 36 166.574 -0.578 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 36 164.368 0.079 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 36 163.966 0.700 1.826 1.00 0.00 H new ATOM 0 HG SER A 36 164.540 2.387 0.342 1.00 0.00 H new ATOM 541 N ILE A 37 167.335 1.585 2.256 1.00 0.00 N ATOM 542 CA ILE A 37 168.129 2.457 3.072 1.00 0.00 C ATOM 543 C ILE A 37 167.265 3.475 3.808 1.00 0.00 C ATOM 544 O ILE A 37 166.112 3.708 3.447 1.00 0.00 O ATOM 545 CB ILE A 37 169.129 3.201 2.178 1.00 0.00 C ATOM 546 CG1 ILE A 37 169.922 2.215 1.315 1.00 0.00 C ATOM 547 CG2 ILE A 37 170.046 4.032 3.020 1.00 0.00 C ATOM 548 CD1 ILE A 37 171.011 1.485 2.070 1.00 0.00 C ATOM 0 H ILE A 37 167.335 1.834 1.267 1.00 0.00 H new ATOM 0 HA ILE A 37 168.649 1.852 3.815 1.00 0.00 H new ATOM 0 HB ILE A 37 168.578 3.861 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 37 169.235 1.484 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 37 170.370 2.755 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 37 170.753 4.557 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 37 169.462 4.757 3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 37 170.591 3.387 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 37 171.529 0.805 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 37 171.721 2.207 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 37 170.568 0.916 2.888 1.00 0.00 H new ATOM 560 N ASN A 38 167.846 4.094 4.827 1.00 0.00 N ATOM 561 CA ASN A 38 167.151 5.110 5.605 1.00 0.00 C ATOM 562 C ASN A 38 167.659 6.490 5.211 1.00 0.00 C ATOM 563 O ASN A 38 168.369 7.148 5.972 1.00 0.00 O ATOM 564 CB ASN A 38 167.356 4.879 7.104 1.00 0.00 C ATOM 565 CG ASN A 38 166.215 4.103 7.731 1.00 0.00 C ATOM 566 OD1 ASN A 38 165.568 3.287 7.073 1.00 0.00 O ATOM 567 ND2 ASN A 38 165.960 4.354 9.010 1.00 0.00 N ATOM 0 H ASN A 38 168.801 3.909 5.135 1.00 0.00 H new ATOM 0 HA ASN A 38 166.084 5.045 5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 38 168.289 4.338 7.261 1.00 0.00 H new ATOM 0 HB3 ASN A 38 167.457 5.841 7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 38 165.203 3.863 9.485 1.00 0.00 H new ATOM 0 HD22 ASN A 38 166.521 5.038 9.517 1.00 0.00 H new ATOM 574 N LEU A 39 167.297 6.915 4.007 1.00 0.00 N ATOM 575 CA LEU A 39 167.715 8.206 3.484 1.00 0.00 C ATOM 576 C LEU A 39 166.961 9.329 4.159 1.00 0.00 C ATOM 577 O LEU A 39 166.240 10.103 3.529 1.00 0.00 O ATOM 578 CB LEU A 39 167.517 8.245 1.981 1.00 0.00 C ATOM 579 CG LEU A 39 168.393 7.251 1.232 1.00 0.00 C ATOM 580 CD1 LEU A 39 167.542 6.193 0.558 1.00 0.00 C ATOM 581 CD2 LEU A 39 169.273 7.974 0.235 1.00 0.00 C ATOM 0 H LEU A 39 166.709 6.377 3.370 1.00 0.00 H new ATOM 0 HA LEU A 39 168.775 8.344 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 166.471 8.040 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 39 167.730 9.251 1.619 1.00 0.00 H new ATOM 0 HG LEU A 39 169.042 6.745 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 39 168.186 5.492 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 39 166.964 5.657 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 39 166.863 6.669 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 39 169.894 7.251 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 39 168.649 8.508 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 39 169.911 8.684 0.761 1.00 0.00 H new ATOM 593 N THR A 40 167.153 9.393 5.456 1.00 0.00 N ATOM 594 CA THR A 40 166.519 10.405 6.293 1.00 0.00 C ATOM 595 C THR A 40 167.412 10.769 7.475 1.00 0.00 C ATOM 596 O THR A 40 167.691 11.943 7.716 1.00 0.00 O ATOM 597 CB THR A 40 165.164 9.904 6.797 1.00 0.00 C ATOM 598 OG1 THR A 40 164.673 10.741 7.829 1.00 0.00 O ATOM 599 CG2 THR A 40 165.211 8.490 7.335 1.00 0.00 C ATOM 0 H THR A 40 167.753 8.747 5.969 1.00 0.00 H new ATOM 0 HA THR A 40 166.365 11.298 5.688 1.00 0.00 H new ATOM 0 HB THR A 40 164.507 9.922 5.927 1.00 0.00 H new ATOM 0 HG1 THR A 40 163.805 10.406 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 40 164.218 8.197 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 40 165.539 7.812 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 40 165.910 8.441 8.170 1.00 0.00 H new ATOM 607 N ALA A 41 167.859 9.753 8.208 1.00 0.00 N ATOM 608 CA ALA A 41 168.723 9.966 9.364 1.00 0.00 C ATOM 609 C ALA A 41 169.793 8.881 9.455 1.00 0.00 C ATOM 610 O ALA A 41 170.931 9.083 9.030 1.00 0.00 O ATOM 611 CB ALA A 41 167.895 10.008 10.641 1.00 0.00 C ATOM 0 H ALA A 41 167.637 8.775 8.022 1.00 0.00 H new ATOM 0 HA ALA A 41 169.226 10.925 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 41 168.552 10.167 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 41 167.174 10.823 10.581 1.00 0.00 H new ATOM 0 HB3 ALA A 41 167.365 9.063 10.762 1.00 0.00 H new ATOM 617 N GLY A 42 169.422 7.729 10.007 1.00 0.00 N ATOM 618 CA GLY A 42 170.363 6.631 10.136 1.00 0.00 C ATOM 619 C GLY A 42 170.300 5.682 8.958 1.00 0.00 C ATOM 620 O GLY A 42 169.626 4.653 9.013 1.00 0.00 O ATOM 0 H GLY A 42 168.487 7.537 10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 42 171.374 7.030 10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 42 170.154 6.082 11.054 1.00 0.00 H new ATOM 624 N MET A 43 170.997 6.035 7.885 1.00 0.00 N ATOM 625 CA MET A 43 171.015 5.216 6.679 1.00 0.00 C ATOM 626 C MET A 43 171.939 4.011 6.836 1.00 0.00 C ATOM 627 O MET A 43 171.643 2.925 6.338 1.00 0.00 O ATOM 628 CB MET A 43 171.446 6.059 5.476 1.00 0.00 C ATOM 629 CG MET A 43 172.886 6.543 5.548 1.00 0.00 C ATOM 630 SD MET A 43 174.070 5.329 4.928 1.00 0.00 S ATOM 631 CE MET A 43 173.396 4.984 3.305 1.00 0.00 C ATOM 0 H MET A 43 171.558 6.885 7.825 1.00 0.00 H new ATOM 0 HA MET A 43 170.005 4.843 6.512 1.00 0.00 H new ATOM 0 HB2 MET A 43 171.315 5.471 4.567 1.00 0.00 H new ATOM 0 HB3 MET A 43 170.786 6.923 5.395 1.00 0.00 H new ATOM 0 HG2 MET A 43 172.983 7.464 4.973 1.00 0.00 H new ATOM 0 HG3 MET A 43 173.131 6.786 6.582 1.00 0.00 H new ATOM 0 HE1 MET A 43 173.264 3.908 3.187 1.00 0.00 H new ATOM 0 HE2 MET A 43 172.432 5.482 3.198 1.00 0.00 H new ATOM 0 HE3 MET A 43 174.081 5.351 2.541 1.00 0.00 H new ATOM 641 N TYR A 44 173.059 4.206 7.526 1.00 0.00 N ATOM 642 CA TYR A 44 174.021 3.128 7.737 1.00 0.00 C ATOM 643 C TYR A 44 173.369 1.948 8.452 1.00 0.00 C ATOM 644 O TYR A 44 173.336 0.832 7.928 1.00 0.00 O ATOM 645 CB TYR A 44 175.218 3.632 8.547 1.00 0.00 C ATOM 646 CG TYR A 44 176.066 4.649 7.815 1.00 0.00 C ATOM 647 CD1 TYR A 44 176.774 4.302 6.669 1.00 0.00 C ATOM 648 CD2 TYR A 44 176.160 5.958 8.271 1.00 0.00 C ATOM 649 CE1 TYR A 44 177.550 5.230 6.002 1.00 0.00 C ATOM 650 CE2 TYR A 44 176.933 6.892 7.608 1.00 0.00 C ATOM 651 CZ TYR A 44 177.627 6.522 6.475 1.00 0.00 C ATOM 652 OH TYR A 44 178.399 7.449 5.813 1.00 0.00 O ATOM 0 H TYR A 44 173.323 5.097 7.947 1.00 0.00 H new ATOM 0 HA TYR A 44 174.369 2.791 6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 44 174.856 4.075 9.475 1.00 0.00 H new ATOM 0 HB3 TYR A 44 175.843 2.782 8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 44 176.716 3.291 6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 44 175.620 6.251 9.159 1.00 0.00 H new ATOM 0 HE1 TYR A 44 178.094 4.944 5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 44 176.993 7.906 7.975 1.00 0.00 H new ATOM 0 HH TYR A 44 178.625 7.110 4.922 1.00 0.00 H new ATOM 662 N CYS A 45 172.843 2.201 9.647 1.00 0.00 N ATOM 663 CA CYS A 45 172.187 1.157 10.427 1.00 0.00 C ATOM 664 C CYS A 45 171.060 0.514 9.629 1.00 0.00 C ATOM 665 O CYS A 45 170.699 -0.638 9.864 1.00 0.00 O ATOM 666 CB CYS A 45 171.625 1.732 11.728 1.00 0.00 C ATOM 667 SG CYS A 45 172.885 2.137 12.977 1.00 0.00 S ATOM 0 H CYS A 45 172.858 3.117 10.095 1.00 0.00 H new ATOM 0 HA CYS A 45 172.933 0.398 10.663 1.00 0.00 H new ATOM 0 HB2 CYS A 45 171.057 2.633 11.497 1.00 0.00 H new ATOM 0 HB3 CYS A 45 170.925 1.014 12.155 1.00 0.00 H new ATOM 672 N ALA A 46 170.503 1.270 8.690 1.00 0.00 N ATOM 673 CA ALA A 46 169.412 0.776 7.859 1.00 0.00 C ATOM 674 C ALA A 46 169.896 -0.303 6.896 1.00 0.00 C ATOM 675 O ALA A 46 169.407 -1.432 6.915 1.00 0.00 O ATOM 676 CB ALA A 46 168.774 1.922 7.090 1.00 0.00 C ATOM 0 H ALA A 46 170.789 2.227 8.485 1.00 0.00 H new ATOM 0 HA ALA A 46 168.664 0.330 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 46 167.961 1.538 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 46 168.381 2.657 7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 46 169.522 2.393 6.452 1.00 0.00 H new ATOM 682 N ALA A 47 170.857 0.054 6.054 1.00 0.00 N ATOM 683 CA ALA A 47 171.405 -0.882 5.080 1.00 0.00 C ATOM 684 C ALA A 47 172.085 -2.065 5.764 1.00 0.00 C ATOM 685 O ALA A 47 172.207 -3.143 5.182 1.00 0.00 O ATOM 686 CB ALA A 47 172.384 -0.169 4.159 1.00 0.00 C ATOM 0 H ALA A 47 171.273 0.985 6.026 1.00 0.00 H new ATOM 0 HA ALA A 47 170.578 -1.272 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 47 172.786 -0.879 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 47 171.869 0.634 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 47 173.199 0.250 4.749 1.00 0.00 H new ATOM 692 N LEU A 48 172.524 -1.861 7.003 1.00 0.00 N ATOM 693 CA LEU A 48 173.187 -2.907 7.757 1.00 0.00 C ATOM 694 C LEU A 48 172.167 -3.878 8.324 1.00 0.00 C ATOM 695 O LEU A 48 172.351 -5.093 8.271 1.00 0.00 O ATOM 696 CB LEU A 48 174.007 -2.289 8.887 1.00 0.00 C ATOM 697 CG LEU A 48 174.616 -3.291 9.866 1.00 0.00 C ATOM 698 CD1 LEU A 48 175.742 -4.070 9.204 1.00 0.00 C ATOM 699 CD2 LEU A 48 175.116 -2.581 11.114 1.00 0.00 C ATOM 0 H LEU A 48 172.430 -0.977 7.502 1.00 0.00 H new ATOM 0 HA LEU A 48 173.853 -3.454 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 48 174.811 -1.696 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 48 173.370 -1.601 9.444 1.00 0.00 H new ATOM 0 HG LEU A 48 173.840 -3.997 10.161 1.00 0.00 H new ATOM 0 HD11 LEU A 48 176.163 -4.778 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 48 175.352 -4.611 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 48 176.519 -3.379 8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 48 175.546 -3.311 11.800 1.00 0.00 H new ATOM 0 HD22 LEU A 48 175.876 -1.851 10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 48 174.284 -2.072 11.601 1.00 0.00 H new ATOM 711 N GLU A 49 171.095 -3.328 8.876 1.00 0.00 N ATOM 712 CA GLU A 49 170.048 -4.141 9.465 1.00 0.00 C ATOM 713 C GLU A 49 169.350 -4.994 8.409 1.00 0.00 C ATOM 714 O GLU A 49 168.971 -6.135 8.674 1.00 0.00 O ATOM 715 CB GLU A 49 169.029 -3.267 10.203 1.00 0.00 C ATOM 716 CG GLU A 49 168.220 -2.361 9.291 1.00 0.00 C ATOM 717 CD GLU A 49 166.946 -1.863 9.946 1.00 0.00 C ATOM 718 OE1 GLU A 49 166.433 -2.557 10.849 1.00 0.00 O ATOM 719 OE2 GLU A 49 166.462 -0.780 9.556 1.00 0.00 O ATOM 0 H GLU A 49 170.930 -2.323 8.927 1.00 0.00 H new ATOM 0 HA GLU A 49 170.517 -4.811 10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 168.346 -3.911 10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 49 169.554 -2.654 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 49 168.831 -1.507 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 49 167.968 -2.901 8.378 1.00 0.00 H new ATOM 726 N SER A 50 169.184 -4.439 7.213 1.00 0.00 N ATOM 727 CA SER A 50 168.536 -5.159 6.126 1.00 0.00 C ATOM 728 C SER A 50 169.504 -6.142 5.477 1.00 0.00 C ATOM 729 O SER A 50 169.127 -7.260 5.127 1.00 0.00 O ATOM 730 CB SER A 50 168.004 -4.179 5.079 1.00 0.00 C ATOM 731 OG SER A 50 167.931 -2.863 5.599 1.00 0.00 O ATOM 0 H SER A 50 169.489 -3.495 6.974 1.00 0.00 H new ATOM 0 HA SER A 50 167.699 -5.720 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 50 168.653 -4.191 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.015 -4.497 4.748 1.00 0.00 H new ATOM 0 HG SER A 50 168.833 -2.486 5.663 1.00 0.00 H new ATOM 737 N LEU A 51 170.755 -5.718 5.320 1.00 0.00 N ATOM 738 CA LEU A 51 171.776 -6.561 4.715 1.00 0.00 C ATOM 739 C LEU A 51 172.039 -7.799 5.568 1.00 0.00 C ATOM 740 O LEU A 51 172.245 -8.893 5.044 1.00 0.00 O ATOM 741 CB LEU A 51 173.070 -5.767 4.535 1.00 0.00 C ATOM 742 CG LEU A 51 173.127 -4.896 3.279 1.00 0.00 C ATOM 743 CD1 LEU A 51 174.347 -3.989 3.313 1.00 0.00 C ATOM 744 CD2 LEU A 51 173.140 -5.764 2.029 1.00 0.00 C ATOM 0 H LEU A 51 171.084 -4.795 5.604 1.00 0.00 H new ATOM 0 HA LEU A 51 171.415 -6.888 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 173.211 -5.129 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 51 173.907 -6.465 4.512 1.00 0.00 H new ATOM 0 HG LEU A 51 172.235 -4.270 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 51 174.371 -3.377 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 51 174.296 -3.343 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 51 175.251 -4.596 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 51 173.181 -5.128 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 51 174.013 -6.416 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 51 172.235 -6.371 1.998 1.00 0.00 H new ATOM 756 N ILE A 52 172.032 -7.617 6.885 1.00 0.00 N ATOM 757 CA ILE A 52 172.272 -8.718 7.811 1.00 0.00 C ATOM 758 C ILE A 52 171.163 -9.763 7.727 1.00 0.00 C ATOM 759 O ILE A 52 171.388 -10.944 7.993 1.00 0.00 O ATOM 760 CB ILE A 52 172.391 -8.214 9.266 1.00 0.00 C ATOM 761 CG1 ILE A 52 172.764 -9.364 10.203 1.00 0.00 C ATOM 762 CG2 ILE A 52 171.092 -7.558 9.716 1.00 0.00 C ATOM 763 CD1 ILE A 52 172.976 -8.928 11.636 1.00 0.00 C ATOM 0 H ILE A 52 171.863 -6.717 7.335 1.00 0.00 H new ATOM 0 HA ILE A 52 173.216 -9.178 7.519 1.00 0.00 H new ATOM 0 HB ILE A 52 173.183 -7.466 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 52 171.976 -10.117 10.173 1.00 0.00 H new ATOM 0 HG13 ILE A 52 173.674 -9.840 9.838 1.00 0.00 H new ATOM 0 HG21 ILE A 52 171.197 -7.210 10.744 1.00 0.00 H new ATOM 0 HG22 ILE A 52 170.868 -6.711 9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 52 170.280 -8.283 9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.238 -9.794 12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.784 -8.197 11.678 1.00 0.00 H new ATOM 0 HD13 ILE A 52 172.060 -8.479 12.019 1.00 0.00 H new ATOM 775 N ASN A 53 169.965 -9.321 7.357 1.00 0.00 N ATOM 776 CA ASN A 53 168.823 -10.219 7.238 1.00 0.00 C ATOM 777 C ASN A 53 168.962 -11.124 6.016 1.00 0.00 C ATOM 778 O ASN A 53 168.383 -12.209 5.968 1.00 0.00 O ATOM 779 CB ASN A 53 167.524 -9.415 7.146 1.00 0.00 C ATOM 780 CG ASN A 53 166.910 -9.151 8.506 1.00 0.00 C ATOM 781 OD1 ASN A 53 167.303 -9.754 9.505 1.00 0.00 O ATOM 782 ND2 ASN A 53 165.940 -8.245 8.552 1.00 0.00 N ATOM 0 H ASN A 53 169.761 -8.347 7.135 1.00 0.00 H new ATOM 0 HA ASN A 53 168.794 -10.847 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 53 167.722 -8.465 6.649 1.00 0.00 H new ATOM 0 HB3 ASN A 53 166.809 -9.955 6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 53 165.489 -8.025 9.440 1.00 0.00 H new ATOM 0 HD22 ASN A 53 165.646 -7.769 7.699 1.00 0.00 H new ATOM 789 N VAL A 54 169.731 -10.670 5.029 1.00 0.00 N ATOM 790 CA VAL A 54 169.942 -11.441 3.809 1.00 0.00 C ATOM 791 C VAL A 54 170.559 -12.802 4.118 1.00 0.00 C ATOM 792 O VAL A 54 171.423 -12.921 4.986 1.00 0.00 O ATOM 793 CB VAL A 54 170.854 -10.689 2.819 1.00 0.00 C ATOM 794 CG1 VAL A 54 170.962 -11.449 1.505 1.00 0.00 C ATOM 795 CG2 VAL A 54 170.340 -9.277 2.585 1.00 0.00 C ATOM 0 H VAL A 54 170.217 -9.774 5.051 1.00 0.00 H new ATOM 0 HA VAL A 54 168.963 -11.584 3.352 1.00 0.00 H new ATOM 0 HB VAL A 54 171.851 -10.621 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 54 171.610 -10.902 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 54 171.382 -12.438 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 54 169.971 -11.553 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 54 170.997 -8.762 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 54 169.332 -9.320 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 54 170.323 -8.735 3.530 1.00 0.00 H new ATOM 805 N SER A 55 170.108 -13.825 3.399 1.00 0.00 N ATOM 806 CA SER A 55 170.615 -15.179 3.593 1.00 0.00 C ATOM 807 C SER A 55 170.905 -15.847 2.253 1.00 0.00 C ATOM 808 O SER A 55 170.096 -15.782 1.328 1.00 0.00 O ATOM 809 CB SER A 55 169.608 -16.014 4.386 1.00 0.00 C ATOM 810 OG SER A 55 169.354 -15.438 5.655 1.00 0.00 O ATOM 0 H SER A 55 169.392 -13.742 2.677 1.00 0.00 H new ATOM 0 HA SER A 55 171.546 -15.115 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 55 168.676 -16.093 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 55 169.991 -17.027 4.513 1.00 0.00 H new ATOM 0 HG SER A 55 168.706 -15.990 6.141 1.00 0.00 H new ATOM 816 N GLY A 56 172.066 -16.488 2.155 1.00 0.00 N ATOM 817 CA GLY A 56 172.441 -17.157 0.924 1.00 0.00 C ATOM 818 C GLY A 56 173.181 -16.241 -0.031 1.00 0.00 C ATOM 819 O GLY A 56 173.129 -16.428 -1.247 1.00 0.00 O ATOM 0 H GLY A 56 172.753 -16.556 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 173.069 -18.017 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 56 171.545 -17.540 0.435 1.00 0.00 H new ATOM 823 N CYS A 57 173.871 -15.248 0.521 1.00 0.00 N ATOM 824 CA CYS A 57 174.624 -14.299 -0.280 1.00 0.00 C ATOM 825 C CYS A 57 176.039 -14.156 0.268 1.00 0.00 C ATOM 826 O CYS A 57 176.988 -14.727 -0.269 1.00 0.00 O ATOM 827 CB CYS A 57 173.918 -12.944 -0.275 1.00 0.00 C ATOM 828 SG CYS A 57 172.893 -12.629 -1.747 1.00 0.00 S ATOM 0 H CYS A 57 173.922 -15.082 1.526 1.00 0.00 H new ATOM 0 HA CYS A 57 174.682 -14.666 -1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 57 173.289 -12.878 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 57 174.668 -12.157 -0.193 1.00 0.00 H new ATOM 833 N SER A 58 176.165 -13.401 1.354 1.00 0.00 N ATOM 834 CA SER A 58 177.453 -13.188 2.001 1.00 0.00 C ATOM 835 C SER A 58 178.439 -12.458 1.089 1.00 0.00 C ATOM 836 O SER A 58 179.634 -12.403 1.379 1.00 0.00 O ATOM 837 CB SER A 58 178.039 -14.529 2.444 1.00 0.00 C ATOM 838 OG SER A 58 178.569 -14.447 3.755 1.00 0.00 O ATOM 0 H SER A 58 175.385 -12.924 1.806 1.00 0.00 H new ATOM 0 HA SER A 58 177.286 -12.555 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 58 177.266 -15.296 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 58 178.823 -14.834 1.750 1.00 0.00 H new ATOM 0 HG SER A 58 178.936 -15.318 4.015 1.00 0.00 H new ATOM 844 N ALA A 59 177.939 -11.885 -0.002 1.00 0.00 N ATOM 845 CA ALA A 59 178.791 -11.149 -0.928 1.00 0.00 C ATOM 846 C ALA A 59 178.979 -9.720 -0.438 1.00 0.00 C ATOM 847 O ALA A 59 180.068 -9.153 -0.524 1.00 0.00 O ATOM 848 CB ALA A 59 178.192 -11.160 -2.326 1.00 0.00 C ATOM 0 H ALA A 59 176.954 -11.916 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 59 179.766 -11.635 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 59 178.841 -10.606 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 59 178.098 -12.189 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 59 177.207 -10.693 -2.304 1.00 0.00 H new ATOM 854 N ILE A 60 177.899 -9.154 0.083 1.00 0.00 N ATOM 855 CA ILE A 60 177.899 -7.802 0.605 1.00 0.00 C ATOM 856 C ILE A 60 178.514 -7.731 2.006 1.00 0.00 C ATOM 857 O ILE A 60 178.566 -6.660 2.609 1.00 0.00 O ATOM 858 CB ILE A 60 176.461 -7.271 0.674 1.00 0.00 C ATOM 859 CG1 ILE A 60 175.578 -8.240 1.467 1.00 0.00 C ATOM 860 CG2 ILE A 60 175.905 -7.053 -0.725 1.00 0.00 C ATOM 861 CD1 ILE A 60 175.247 -7.752 2.858 1.00 0.00 C ATOM 0 H ILE A 60 176.997 -9.625 0.154 1.00 0.00 H new ATOM 0 HA ILE A 60 178.502 -7.194 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 60 176.466 -6.310 1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 60 174.651 -8.406 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 60 176.083 -9.203 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 60 174.884 -6.676 -0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 60 176.524 -6.329 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 60 175.907 -7.998 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 60 174.619 -8.487 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 60 176.168 -7.613 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 60 174.714 -6.803 2.794 1.00 0.00 H new ATOM 873 N GLU A 61 178.967 -8.876 2.523 1.00 0.00 N ATOM 874 CA GLU A 61 179.567 -8.947 3.858 1.00 0.00 C ATOM 875 C GLU A 61 180.471 -7.750 4.138 1.00 0.00 C ATOM 876 O GLU A 61 180.423 -7.159 5.218 1.00 0.00 O ATOM 877 CB GLU A 61 180.359 -10.247 4.010 1.00 0.00 C ATOM 878 CG GLU A 61 179.608 -11.331 4.766 1.00 0.00 C ATOM 879 CD GLU A 61 180.484 -12.056 5.769 1.00 0.00 C ATOM 880 OE1 GLU A 61 181.232 -12.968 5.355 1.00 0.00 O ATOM 881 OE2 GLU A 61 180.423 -11.713 6.968 1.00 0.00 O ATOM 0 H GLU A 61 178.929 -9.771 2.035 1.00 0.00 H new ATOM 0 HA GLU A 61 178.756 -8.927 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 61 180.621 -10.621 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 61 181.294 -10.035 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 61 178.760 -10.885 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 61 179.204 -12.051 4.055 1.00 0.00 H new ATOM 888 N LYS A 62 181.287 -7.395 3.157 1.00 0.00 N ATOM 889 CA LYS A 62 182.197 -6.263 3.295 1.00 0.00 C ATOM 890 C LYS A 62 181.416 -4.992 3.610 1.00 0.00 C ATOM 891 O LYS A 62 181.796 -4.216 4.489 1.00 0.00 O ATOM 892 CB LYS A 62 183.013 -6.076 2.014 1.00 0.00 C ATOM 893 CG LYS A 62 184.356 -6.788 2.040 1.00 0.00 C ATOM 894 CD LYS A 62 185.438 -5.967 1.358 1.00 0.00 C ATOM 895 CE LYS A 62 185.645 -4.631 2.052 1.00 0.00 C ATOM 896 NZ LYS A 62 187.000 -4.071 1.788 1.00 0.00 N ATOM 0 H LYS A 62 181.339 -7.872 2.257 1.00 0.00 H new ATOM 0 HA LYS A 62 182.881 -6.467 4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 62 182.433 -6.442 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 62 183.179 -5.011 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 62 184.644 -6.985 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 62 184.266 -7.755 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 186.374 -6.526 1.357 1.00 0.00 H new ATOM 0 HD3 LYS A 62 185.166 -5.798 0.316 1.00 0.00 H new ATOM 0 HE2 LYS A 62 184.888 -3.924 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 62 185.506 -4.755 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 187.239 -3.378 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 187.701 -4.840 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 187.008 -3.604 0.859 1.00 0.00 H new ATOM 910 N THR A 63 180.315 -4.797 2.894 1.00 0.00 N ATOM 911 CA THR A 63 179.465 -3.633 3.097 1.00 0.00 C ATOM 912 C THR A 63 178.824 -3.678 4.481 1.00 0.00 C ATOM 913 O THR A 63 178.584 -2.643 5.097 1.00 0.00 O ATOM 914 CB THR A 63 178.384 -3.572 2.015 1.00 0.00 C ATOM 915 OG1 THR A 63 178.959 -3.307 0.748 1.00 0.00 O ATOM 916 CG2 THR A 63 177.332 -2.514 2.271 1.00 0.00 C ATOM 0 H THR A 63 179.990 -5.433 2.166 1.00 0.00 H new ATOM 0 HA THR A 63 180.081 -2.736 3.028 1.00 0.00 H new ATOM 0 HB THR A 63 177.902 -4.549 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 63 178.283 -3.430 0.050 1.00 0.00 H new ATOM 0 HG21 THR A 63 176.599 -2.528 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 63 176.833 -2.718 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 63 177.805 -1.533 2.314 1.00 0.00 H new ATOM 924 N GLN A 64 178.554 -4.885 4.965 1.00 0.00 N ATOM 925 CA GLN A 64 177.949 -5.055 6.280 1.00 0.00 C ATOM 926 C GLN A 64 178.872 -4.512 7.364 1.00 0.00 C ATOM 927 O GLN A 64 178.488 -3.641 8.143 1.00 0.00 O ATOM 928 CB GLN A 64 177.653 -6.532 6.549 1.00 0.00 C ATOM 929 CG GLN A 64 176.612 -7.127 5.618 1.00 0.00 C ATOM 930 CD GLN A 64 176.201 -8.528 6.027 1.00 0.00 C ATOM 931 OE1 GLN A 64 174.987 -8.920 5.662 1.00 0.00 O flip ATOM 932 NE2 GLN A 64 176.968 -9.251 6.664 1.00 0.00 N flip ATOM 0 H GLN A 64 178.743 -5.756 4.469 1.00 0.00 H new ATOM 0 HA GLN A 64 177.012 -4.498 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 64 178.578 -7.101 6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 64 177.312 -6.643 7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 64 175.732 -6.483 5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 64 177.008 -7.150 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 64 177.893 -8.909 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 64 176.678 -10.192 6.931 1.00 0.00 H new ATOM 941 N ARG A 65 180.091 -5.040 7.408 1.00 0.00 N ATOM 942 CA ARG A 65 181.073 -4.622 8.391 1.00 0.00 C ATOM 943 C ARG A 65 181.327 -3.118 8.320 1.00 0.00 C ATOM 944 O ARG A 65 181.246 -2.415 9.329 1.00 0.00 O ATOM 945 CB ARG A 65 182.384 -5.382 8.185 1.00 0.00 C ATOM 946 CG ARG A 65 182.451 -6.697 8.945 1.00 0.00 C ATOM 947 CD ARG A 65 182.878 -6.484 10.389 1.00 0.00 C ATOM 948 NE ARG A 65 181.842 -5.819 11.175 1.00 0.00 N ATOM 949 CZ ARG A 65 180.710 -6.406 11.557 1.00 0.00 C ATOM 950 NH1 ARG A 65 180.465 -7.668 11.229 1.00 0.00 N ATOM 951 NH2 ARG A 65 179.821 -5.728 12.271 1.00 0.00 N ATOM 0 H ARG A 65 180.420 -5.763 6.768 1.00 0.00 H new ATOM 0 HA ARG A 65 180.674 -4.852 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 65 182.516 -5.580 7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 65 183.214 -4.749 8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 65 181.476 -7.183 8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 65 183.154 -7.368 8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 65 183.115 -7.446 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 65 183.790 -5.887 10.413 1.00 0.00 H new ATOM 0 HE ARG A 65 181.995 -4.848 11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 65 181.146 -8.194 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 65 179.596 -8.112 11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 65 180.005 -4.758 12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 65 178.953 -6.177 12.564 1.00 0.00 H new ATOM 965 N MET A 66 181.642 -2.631 7.122 1.00 0.00 N ATOM 966 CA MET A 66 181.916 -1.214 6.922 1.00 0.00 C ATOM 967 C MET A 66 180.729 -0.358 7.362 1.00 0.00 C ATOM 968 O MET A 66 180.902 0.763 7.840 1.00 0.00 O ATOM 969 CB MET A 66 182.263 -0.950 5.452 1.00 0.00 C ATOM 970 CG MET A 66 181.058 -0.688 4.561 1.00 0.00 C ATOM 971 SD MET A 66 180.715 1.071 4.353 1.00 0.00 S ATOM 972 CE MET A 66 182.289 1.661 3.733 1.00 0.00 C ATOM 0 H MET A 66 181.713 -3.198 6.277 1.00 0.00 H new ATOM 0 HA MET A 66 182.770 -0.936 7.539 1.00 0.00 H new ATOM 0 HB2 MET A 66 182.934 -0.092 5.398 1.00 0.00 H new ATOM 0 HB3 MET A 66 182.810 -1.808 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 66 181.229 -1.139 3.583 1.00 0.00 H new ATOM 0 HG3 MET A 66 180.182 -1.177 4.988 1.00 0.00 H new ATOM 0 HE1 MET A 66 182.191 2.701 3.423 1.00 0.00 H new ATOM 0 HE2 MET A 66 183.041 1.586 4.519 1.00 0.00 H new ATOM 0 HE3 MET A 66 182.594 1.055 2.880 1.00 0.00 H new ATOM 982 N LEU A 67 179.526 -0.896 7.196 1.00 0.00 N ATOM 983 CA LEU A 67 178.310 -0.187 7.573 1.00 0.00 C ATOM 984 C LEU A 67 178.179 -0.111 9.090 1.00 0.00 C ATOM 985 O LEU A 67 177.874 0.944 9.645 1.00 0.00 O ATOM 986 CB LEU A 67 177.087 -0.884 6.977 1.00 0.00 C ATOM 987 CG LEU A 67 176.763 -0.501 5.532 1.00 0.00 C ATOM 988 CD1 LEU A 67 175.644 -1.375 4.987 1.00 0.00 C ATOM 989 CD2 LEU A 67 176.385 0.970 5.443 1.00 0.00 C ATOM 0 H LEU A 67 179.367 -1.823 6.802 1.00 0.00 H new ATOM 0 HA LEU A 67 178.369 0.828 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 177.243 -1.962 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 67 176.221 -0.659 7.599 1.00 0.00 H new ATOM 0 HG LEU A 67 177.653 -0.664 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 67 175.427 -1.088 3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 67 175.952 -2.420 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 67 174.750 -1.244 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 67 176.158 1.225 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 67 175.509 1.159 6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 177.217 1.581 5.793 1.00 0.00 H new ATOM 1001 N SER A 68 178.416 -1.238 9.756 1.00 0.00 N ATOM 1002 CA SER A 68 178.329 -1.297 11.210 1.00 0.00 C ATOM 1003 C SER A 68 179.264 -0.279 11.843 1.00 0.00 C ATOM 1004 O SER A 68 178.893 0.429 12.779 1.00 0.00 O ATOM 1005 CB SER A 68 178.669 -2.703 11.708 1.00 0.00 C ATOM 1006 OG SER A 68 178.337 -2.854 13.077 1.00 0.00 O ATOM 0 H SER A 68 178.669 -2.121 9.312 1.00 0.00 H new ATOM 0 HA SER A 68 177.306 -1.059 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 68 178.129 -3.442 11.116 1.00 0.00 H new ATOM 0 HB3 SER A 68 179.732 -2.895 11.565 1.00 0.00 H new ATOM 0 HG SER A 68 178.411 -3.798 13.329 1.00 0.00 H new ATOM 1012 N GLY A 69 180.480 -0.211 11.318 1.00 0.00 N ATOM 1013 CA GLY A 69 181.462 0.722 11.828 1.00 0.00 C ATOM 1014 C GLY A 69 180.922 2.136 11.938 1.00 0.00 C ATOM 1015 O GLY A 69 181.392 2.926 12.756 1.00 0.00 O ATOM 0 H GLY A 69 180.804 -0.790 10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 69 181.799 0.388 12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 69 182.334 0.720 11.174 1.00 0.00 H new ATOM 1019 N PHE A 70 179.931 2.454 11.109 1.00 0.00 N ATOM 1020 CA PHE A 70 179.323 3.780 11.112 1.00 0.00 C ATOM 1021 C PHE A 70 177.913 3.736 11.694 1.00 0.00 C ATOM 1022 O PHE A 70 177.425 4.730 12.233 1.00 0.00 O ATOM 1023 CB PHE A 70 179.284 4.348 9.693 1.00 0.00 C ATOM 1024 CG PHE A 70 180.519 5.118 9.320 1.00 0.00 C ATOM 1025 CD1 PHE A 70 181.657 4.458 8.885 1.00 0.00 C ATOM 1026 CD2 PHE A 70 180.541 6.501 9.403 1.00 0.00 C ATOM 1027 CE1 PHE A 70 182.795 5.163 8.542 1.00 0.00 C ATOM 1028 CE2 PHE A 70 181.675 7.211 9.061 1.00 0.00 C ATOM 1029 CZ PHE A 70 182.804 6.542 8.629 1.00 0.00 C ATOM 0 H PHE A 70 179.532 1.810 10.426 1.00 0.00 H new ATOM 0 HA PHE A 70 179.933 4.429 11.741 1.00 0.00 H new ATOM 0 HB2 PHE A 70 179.149 3.529 8.986 1.00 0.00 H new ATOM 0 HB3 PHE A 70 178.416 5.000 9.595 1.00 0.00 H new ATOM 0 HD1 PHE A 70 181.655 3.380 8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 70 179.661 7.030 9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 70 183.676 4.637 8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 70 181.679 8.289 9.131 1.00 0.00 H new ATOM 0 HZ PHE A 70 183.691 7.096 8.360 1.00 0.00 H new ATOM 1039 N CYS A 71 177.261 2.578 11.581 1.00 0.00 N ATOM 1040 CA CYS A 71 175.905 2.399 12.095 1.00 0.00 C ATOM 1041 C CYS A 71 175.760 2.998 13.496 1.00 0.00 C ATOM 1042 O CYS A 71 176.221 2.416 14.479 1.00 0.00 O ATOM 1043 CB CYS A 71 175.549 0.907 12.113 1.00 0.00 C ATOM 1044 SG CYS A 71 174.050 0.476 13.068 1.00 0.00 S ATOM 0 H CYS A 71 177.653 1.748 11.136 1.00 0.00 H new ATOM 0 HA CYS A 71 175.215 2.925 11.435 1.00 0.00 H new ATOM 0 HB2 CYS A 71 175.415 0.569 11.085 1.00 0.00 H new ATOM 0 HB3 CYS A 71 176.393 0.353 12.523 1.00 0.00 H new ATOM 1049 N PRO A 72 175.115 4.175 13.605 1.00 0.00 N ATOM 1050 CA PRO A 72 174.913 4.848 14.889 1.00 0.00 C ATOM 1051 C PRO A 72 173.722 4.289 15.666 1.00 0.00 C ATOM 1052 O PRO A 72 172.837 5.036 16.083 1.00 0.00 O ATOM 1053 CB PRO A 72 174.644 6.290 14.469 1.00 0.00 C ATOM 1054 CG PRO A 72 173.959 6.171 13.151 1.00 0.00 C ATOM 1055 CD PRO A 72 174.536 4.947 12.483 1.00 0.00 C ATOM 0 HA PRO A 72 175.764 4.724 15.559 1.00 0.00 H new ATOM 0 HB2 PRO A 72 174.018 6.806 15.197 1.00 0.00 H new ATOM 0 HB3 PRO A 72 175.570 6.859 14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 72 172.881 6.072 13.280 1.00 0.00 H new ATOM 0 HG3 PRO A 72 174.127 7.061 12.544 1.00 0.00 H new ATOM 0 HD2 PRO A 72 173.768 4.377 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 72 175.294 5.213 11.746 1.00 0.00 H new ATOM 1063 N HIS A 73 173.705 2.972 15.862 1.00 0.00 N ATOM 1064 CA HIS A 73 172.619 2.324 16.594 1.00 0.00 C ATOM 1065 C HIS A 73 172.823 0.812 16.658 1.00 0.00 C ATOM 1066 O HIS A 73 173.896 0.305 16.330 1.00 0.00 O ATOM 1067 CB HIS A 73 171.271 2.641 15.939 1.00 0.00 C ATOM 1068 CG HIS A 73 170.394 3.524 16.773 1.00 0.00 C ATOM 1069 ND1 HIS A 73 169.770 4.649 16.278 1.00 0.00 N ATOM 1070 CD2 HIS A 73 170.037 3.440 18.077 1.00 0.00 C ATOM 1071 CE1 HIS A 73 169.068 5.221 17.241 1.00 0.00 C ATOM 1072 NE2 HIS A 73 169.213 4.506 18.342 1.00 0.00 N ATOM 0 H HIS A 73 174.427 2.335 15.526 1.00 0.00 H new ATOM 0 HA HIS A 73 172.623 2.714 17.612 1.00 0.00 H new ATOM 0 HB2 HIS A 73 171.448 3.122 14.977 1.00 0.00 H new ATOM 0 HB3 HIS A 73 170.746 1.707 15.737 1.00 0.00 H new ATOM 0 HD2 HIS A 73 170.343 2.677 18.777 1.00 0.00 H new ATOM 0 HE1 HIS A 73 168.477 6.120 17.144 1.00 0.00 H new ATOM 0 HE2 HIS A 73 168.782 4.712 19.243 1.00 0.00 H new ATOM 1081 N LYS A 74 171.784 0.099 17.083 1.00 0.00 N ATOM 1082 CA LYS A 74 171.841 -1.355 17.192 1.00 0.00 C ATOM 1083 C LYS A 74 171.396 -2.014 15.891 1.00 0.00 C ATOM 1084 O LYS A 74 170.547 -1.484 15.175 1.00 0.00 O ATOM 1085 CB LYS A 74 170.963 -1.836 18.349 1.00 0.00 C ATOM 1086 CG LYS A 74 171.711 -1.974 19.665 1.00 0.00 C ATOM 1087 CD LYS A 74 172.386 -0.671 20.063 1.00 0.00 C ATOM 1088 CE LYS A 74 173.879 -0.706 19.777 1.00 0.00 C ATOM 1089 NZ LYS A 74 174.524 -1.927 20.333 1.00 0.00 N ATOM 0 H LYS A 74 170.890 0.506 17.358 1.00 0.00 H new ATOM 0 HA LYS A 74 172.875 -1.640 17.388 1.00 0.00 H new ATOM 0 HB2 LYS A 74 170.137 -1.137 18.482 1.00 0.00 H new ATOM 0 HB3 LYS A 74 170.526 -2.800 18.086 1.00 0.00 H new ATOM 0 HG2 LYS A 74 171.017 -2.279 20.448 1.00 0.00 H new ATOM 0 HG3 LYS A 74 172.460 -2.761 19.578 1.00 0.00 H new ATOM 0 HD2 LYS A 74 171.930 0.157 19.520 1.00 0.00 H new ATOM 0 HD3 LYS A 74 172.222 -0.485 21.124 1.00 0.00 H new ATOM 0 HE2 LYS A 74 174.043 -0.668 18.700 1.00 0.00 H new ATOM 0 HE3 LYS A 74 174.351 0.179 20.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 175.506 -1.711 20.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 174.000 -2.245 21.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 174.518 -2.680 19.616 1.00 0.00 H new ATOM 1103 N VAL A 75 171.974 -3.174 15.591 1.00 0.00 N ATOM 1104 CA VAL A 75 171.638 -3.907 14.381 1.00 0.00 C ATOM 1105 C VAL A 75 171.967 -5.387 14.538 1.00 0.00 C ATOM 1106 O VAL A 75 173.091 -5.816 14.279 1.00 0.00 O ATOM 1107 CB VAL A 75 172.387 -3.347 13.153 1.00 0.00 C ATOM 1108 CG1 VAL A 75 172.154 -4.222 11.929 1.00 0.00 C ATOM 1109 CG2 VAL A 75 171.959 -1.915 12.873 1.00 0.00 C ATOM 0 H VAL A 75 172.679 -3.625 16.174 1.00 0.00 H new ATOM 0 HA VAL A 75 170.567 -3.787 14.221 1.00 0.00 H new ATOM 0 HB VAL A 75 173.454 -3.352 13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 75 172.692 -3.807 11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 75 172.515 -5.231 12.129 1.00 0.00 H new ATOM 0 HG13 VAL A 75 171.088 -4.256 11.704 1.00 0.00 H new ATOM 0 HG21 VAL A 75 172.498 -1.538 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 75 170.887 -1.888 12.676 1.00 0.00 H new ATOM 0 HG23 VAL A 75 172.185 -1.292 13.738 1.00 0.00 H new ATOM 1119 N SER A 76 170.974 -6.160 14.945 1.00 0.00 N ATOM 1120 CA SER A 76 171.108 -7.549 15.122 1.00 0.00 C ATOM 1121 C SER A 76 169.810 -8.242 14.841 1.00 0.00 C ATOM 1122 O SER A 76 168.810 -8.116 15.548 1.00 0.00 O ATOM 1123 CB SER A 76 171.578 -7.882 16.487 1.00 0.00 C ATOM 1124 OG SER A 76 171.475 -6.780 17.372 1.00 0.00 O ATOM 0 H SER A 76 170.042 -5.806 15.159 1.00 0.00 H new ATOM 0 HA SER A 76 171.859 -7.899 14.414 1.00 0.00 H new ATOM 0 HB2 SER A 76 170.994 -8.715 16.877 1.00 0.00 H new ATOM 0 HB3 SER A 76 172.615 -8.214 16.442 1.00 0.00 H new ATOM 0 HG SER A 76 171.793 -7.043 18.261 1.00 0.00 H new ATOM 1130 N ALA A 77 169.888 -8.962 13.788 1.00 0.00 N ATOM 1131 CA ALA A 77 168.782 -9.756 13.259 1.00 0.00 C ATOM 1132 C ALA A 77 167.484 -8.954 13.227 1.00 0.00 C ATOM 1133 O ALA A 77 167.479 -7.750 13.479 1.00 0.00 O ATOM 1134 CB ALA A 77 168.602 -11.024 14.079 1.00 0.00 C ATOM 0 H ALA A 77 170.740 -9.036 13.232 1.00 0.00 H new ATOM 0 HA ALA A 77 169.029 -10.030 12.233 1.00 0.00 H new ATOM 0 HB1 ALA A 77 167.774 -11.605 13.673 1.00 0.00 H new ATOM 0 HB2 ALA A 77 169.516 -11.616 14.038 1.00 0.00 H new ATOM 0 HB3 ALA A 77 168.387 -10.760 15.114 1.00 0.00 H new ATOM 1295 N THR A 88 156.427 -2.308 3.758 1.00 0.00 N ATOM 1296 CA THR A 88 156.729 -2.317 2.332 1.00 0.00 C ATOM 1297 C THR A 88 158.212 -2.580 2.093 1.00 0.00 C ATOM 1298 O THR A 88 159.070 -1.864 2.606 1.00 0.00 O ATOM 1299 CB THR A 88 156.327 -0.985 1.696 1.00 0.00 C ATOM 1300 OG1 THR A 88 156.282 0.042 2.670 1.00 0.00 O ATOM 1301 CG2 THR A 88 154.976 -1.031 1.015 1.00 0.00 C ATOM 0 HA THR A 88 156.156 -3.120 1.869 1.00 0.00 H new ATOM 0 HB THR A 88 157.089 -0.782 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 88 156.170 -0.355 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 88 154.752 -0.055 0.585 1.00 0.00 H new ATOM 0 HG22 THR A 88 154.993 -1.781 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 88 154.209 -1.291 1.745 1.00 0.00 H new ATOM 1309 N LYS A 89 158.505 -3.613 1.312 1.00 0.00 N ATOM 1310 CA LYS A 89 159.883 -3.973 1.006 1.00 0.00 C ATOM 1311 C LYS A 89 160.275 -3.492 -0.388 1.00 0.00 C ATOM 1312 O LYS A 89 159.424 -3.076 -1.174 1.00 0.00 O ATOM 1313 CB LYS A 89 160.062 -5.487 1.103 1.00 0.00 C ATOM 1314 CG LYS A 89 160.435 -5.970 2.495 1.00 0.00 C ATOM 1315 CD LYS A 89 159.230 -6.528 3.235 1.00 0.00 C ATOM 1316 CE LYS A 89 159.431 -6.483 4.741 1.00 0.00 C ATOM 1317 NZ LYS A 89 160.762 -7.019 5.140 1.00 0.00 N ATOM 0 H LYS A 89 157.806 -4.216 0.879 1.00 0.00 H new ATOM 0 HA LYS A 89 160.533 -3.486 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 89 159.137 -5.974 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 89 160.835 -5.798 0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 89 161.205 -6.738 2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 89 160.863 -5.145 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 89 158.341 -5.956 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 89 159.053 -7.557 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 89 159.334 -5.455 5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 89 158.646 -7.060 5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 160.784 -7.161 6.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 160.928 -7.927 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 161.504 -6.343 4.868 1.00 0.00 H new ATOM 1331 N ILE A 90 161.569 -3.551 -0.688 1.00 0.00 N ATOM 1332 CA ILE A 90 162.070 -3.122 -1.989 1.00 0.00 C ATOM 1333 C ILE A 90 162.839 -4.247 -2.677 1.00 0.00 C ATOM 1334 O ILE A 90 163.157 -5.264 -2.059 1.00 0.00 O ATOM 1335 CB ILE A 90 162.972 -1.864 -1.871 1.00 0.00 C ATOM 1336 CG1 ILE A 90 164.430 -2.238 -1.566 1.00 0.00 C ATOM 1337 CG2 ILE A 90 162.438 -0.931 -0.795 1.00 0.00 C ATOM 1338 CD1 ILE A 90 165.390 -1.076 -1.708 1.00 0.00 C ATOM 0 H ILE A 90 162.288 -3.891 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 90 161.202 -2.863 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 90 162.952 -1.353 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 90 164.492 -2.629 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 90 164.740 -3.040 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 90 163.080 -0.053 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 90 161.426 -0.620 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 90 162.425 -1.450 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 90 166.402 -1.410 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 90 165.356 -0.699 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 90 165.105 -0.282 -1.018 1.00 0.00 H new ATOM 1350 N GLU A 91 163.137 -4.054 -3.957 1.00 0.00 N ATOM 1351 CA GLU A 91 163.868 -5.040 -4.729 1.00 0.00 C ATOM 1352 C GLU A 91 165.336 -5.073 -4.313 1.00 0.00 C ATOM 1353 O GLU A 91 165.969 -4.031 -4.147 1.00 0.00 O ATOM 1354 CB GLU A 91 163.754 -4.721 -6.219 1.00 0.00 C ATOM 1355 CG GLU A 91 162.386 -4.202 -6.640 1.00 0.00 C ATOM 1356 CD GLU A 91 161.249 -5.066 -6.129 1.00 0.00 C ATOM 1357 OE1 GLU A 91 161.232 -6.274 -6.446 1.00 0.00 O ATOM 1358 OE2 GLU A 91 160.375 -4.534 -5.413 1.00 0.00 O ATOM 0 H GLU A 91 162.880 -3.217 -4.480 1.00 0.00 H new ATOM 0 HA GLU A 91 163.434 -6.021 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 91 164.508 -3.979 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 91 163.981 -5.621 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 91 162.258 -3.185 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 91 162.339 -4.154 -7.728 1.00 0.00 H new ATOM 1365 N VAL A 92 165.867 -6.279 -4.143 1.00 0.00 N ATOM 1366 CA VAL A 92 167.264 -6.457 -3.740 1.00 0.00 C ATOM 1367 C VAL A 92 168.205 -5.628 -4.610 1.00 0.00 C ATOM 1368 O VAL A 92 169.127 -4.988 -4.106 1.00 0.00 O ATOM 1369 CB VAL A 92 167.717 -7.939 -3.792 1.00 0.00 C ATOM 1370 CG1 VAL A 92 168.064 -8.440 -2.399 1.00 0.00 C ATOM 1371 CG2 VAL A 92 166.660 -8.830 -4.432 1.00 0.00 C ATOM 0 H VAL A 92 165.354 -7.150 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 92 167.317 -6.115 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 92 168.610 -7.988 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 92 168.380 -9.482 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 92 168.873 -7.837 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 92 167.188 -8.361 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 92 167.015 -9.860 -4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 92 165.738 -8.774 -3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 92 166.470 -8.494 -5.451 1.00 0.00 H new ATOM 1381 N ALA A 93 167.971 -5.645 -5.918 1.00 0.00 N ATOM 1382 CA ALA A 93 168.807 -4.894 -6.849 1.00 0.00 C ATOM 1383 C ALA A 93 168.801 -3.407 -6.512 1.00 0.00 C ATOM 1384 O ALA A 93 169.854 -2.804 -6.281 1.00 0.00 O ATOM 1385 CB ALA A 93 168.336 -5.117 -8.278 1.00 0.00 C ATOM 0 H ALA A 93 167.213 -6.168 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 93 169.831 -5.257 -6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 93 168.968 -4.551 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 93 168.398 -6.178 -8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 93 167.303 -4.782 -8.377 1.00 0.00 H new ATOM 1391 N GLN A 94 167.608 -2.823 -6.477 1.00 0.00 N ATOM 1392 CA GLN A 94 167.458 -1.409 -6.161 1.00 0.00 C ATOM 1393 C GLN A 94 168.050 -1.103 -4.790 1.00 0.00 C ATOM 1394 O GLN A 94 168.546 -0.003 -4.547 1.00 0.00 O ATOM 1395 CB GLN A 94 165.980 -1.012 -6.197 1.00 0.00 C ATOM 1396 CG GLN A 94 165.695 0.193 -7.077 1.00 0.00 C ATOM 1397 CD GLN A 94 166.175 1.492 -6.462 1.00 0.00 C ATOM 1398 OE1 GLN A 94 165.394 2.238 -5.871 1.00 0.00 O ATOM 1399 NE2 GLN A 94 167.466 1.770 -6.598 1.00 0.00 N ATOM 0 H GLN A 94 166.731 -3.308 -6.664 1.00 0.00 H new ATOM 0 HA GLN A 94 167.997 -0.829 -6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 94 165.394 -1.859 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 94 165.645 -0.798 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 94 166.177 0.054 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 94 164.623 0.257 -7.262 1.00 0.00 H new ATOM 0 HE21 GLN A 94 168.077 1.123 -7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 94 167.847 2.631 -6.205 1.00 0.00 H new ATOM 1408 N PHE A 95 167.996 -2.088 -3.899 1.00 0.00 N ATOM 1409 CA PHE A 95 168.529 -1.930 -2.552 1.00 0.00 C ATOM 1410 C PHE A 95 170.030 -1.700 -2.587 1.00 0.00 C ATOM 1411 O PHE A 95 170.545 -0.783 -1.950 1.00 0.00 O ATOM 1412 CB PHE A 95 168.213 -3.163 -1.708 1.00 0.00 C ATOM 1413 CG PHE A 95 168.676 -3.044 -0.286 1.00 0.00 C ATOM 1414 CD1 PHE A 95 169.989 -3.323 0.058 1.00 0.00 C ATOM 1415 CD2 PHE A 95 167.797 -2.649 0.705 1.00 0.00 C ATOM 1416 CE1 PHE A 95 170.415 -3.210 1.367 1.00 0.00 C ATOM 1417 CE2 PHE A 95 168.215 -2.534 2.016 1.00 0.00 C ATOM 1418 CZ PHE A 95 169.526 -2.814 2.348 1.00 0.00 C ATOM 0 H PHE A 95 167.588 -3.004 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 95 168.055 -1.058 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 95 167.137 -3.336 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 95 168.681 -4.036 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 95 170.687 -3.632 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 95 166.771 -2.428 0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 95 171.441 -3.431 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 95 167.518 -2.225 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 95 169.856 -2.724 3.372 1.00 0.00 H new ATOM 1428 N VAL A 96 170.723 -2.539 -3.339 1.00 0.00 N ATOM 1429 CA VAL A 96 172.169 -2.435 -3.471 1.00 0.00 C ATOM 1430 C VAL A 96 172.551 -1.101 -4.108 1.00 0.00 C ATOM 1431 O VAL A 96 173.290 -0.307 -3.526 1.00 0.00 O ATOM 1432 CB VAL A 96 172.734 -3.595 -4.318 1.00 0.00 C ATOM 1433 CG1 VAL A 96 174.231 -3.433 -4.533 1.00 0.00 C ATOM 1434 CG2 VAL A 96 172.423 -4.932 -3.660 1.00 0.00 C ATOM 0 H VAL A 96 170.306 -3.304 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 96 172.600 -2.493 -2.471 1.00 0.00 H new ATOM 0 HB VAL A 96 172.252 -3.571 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 96 174.604 -4.263 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 96 174.425 -2.494 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 96 174.738 -3.425 -3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 96 172.828 -5.740 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 96 172.875 -4.963 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 96 171.343 -5.051 -3.570 1.00 0.00 H new ATOM 1444 N LYS A 97 172.037 -0.863 -5.307 1.00 0.00 N ATOM 1445 CA LYS A 97 172.312 0.376 -6.031 1.00 0.00 C ATOM 1446 C LYS A 97 172.075 1.607 -5.150 1.00 0.00 C ATOM 1447 O LYS A 97 172.923 2.499 -5.079 1.00 0.00 O ATOM 1448 CB LYS A 97 171.434 0.457 -7.280 1.00 0.00 C ATOM 1449 CG LYS A 97 171.609 -0.718 -8.225 1.00 0.00 C ATOM 1450 CD LYS A 97 170.513 -0.769 -9.281 1.00 0.00 C ATOM 1451 CE LYS A 97 169.906 0.601 -9.558 1.00 0.00 C ATOM 1452 NZ LYS A 97 169.130 0.618 -10.829 1.00 0.00 N ATOM 0 H LYS A 97 171.425 -1.512 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 97 173.363 0.366 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 97 170.389 0.515 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 97 171.662 1.379 -7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 97 172.581 -0.648 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 97 171.606 -1.646 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 97 170.923 -1.175 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 97 169.728 -1.451 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 97 169.254 0.883 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 97 170.700 1.346 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 168.734 1.567 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 169.757 0.374 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 168.357 -0.075 -10.773 1.00 0.00 H new ATOM 1466 N ASP A 98 170.920 1.661 -4.486 1.00 0.00 N ATOM 1467 CA ASP A 98 170.594 2.798 -3.626 1.00 0.00 C ATOM 1468 C ASP A 98 171.586 2.918 -2.497 1.00 0.00 C ATOM 1469 O ASP A 98 172.117 3.994 -2.206 1.00 0.00 O ATOM 1470 CB ASP A 98 169.169 2.683 -3.080 1.00 0.00 C ATOM 1471 CG ASP A 98 168.169 3.470 -3.905 1.00 0.00 C ATOM 1472 OD1 ASP A 98 168.466 3.754 -5.085 1.00 0.00 O ATOM 1473 OD2 ASP A 98 167.090 3.802 -3.371 1.00 0.00 O ATOM 0 H ASP A 98 170.201 0.938 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 98 170.653 3.702 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 98 168.874 1.634 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 98 169.147 3.040 -2.050 1.00 0.00 H new ATOM 1478 N LEU A 99 171.850 1.796 -1.896 1.00 0.00 N ATOM 1479 CA LEU A 99 172.804 1.693 -0.820 1.00 0.00 C ATOM 1480 C LEU A 99 174.096 2.411 -1.212 1.00 0.00 C ATOM 1481 O LEU A 99 174.695 3.135 -0.415 1.00 0.00 O ATOM 1482 CB LEU A 99 173.016 0.205 -0.609 1.00 0.00 C ATOM 1483 CG LEU A 99 174.450 -0.281 -0.353 1.00 0.00 C ATOM 1484 CD1 LEU A 99 174.660 -0.561 1.127 1.00 0.00 C ATOM 1485 CD2 LEU A 99 174.743 -1.528 -1.173 1.00 0.00 C ATOM 0 H LEU A 99 171.405 0.911 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 99 172.459 2.162 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 99 172.401 -0.105 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 99 172.637 -0.316 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 99 175.140 0.505 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 99 175.681 -0.905 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 99 174.488 0.351 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 99 173.961 -1.331 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 99 175.763 -1.859 -0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 99 174.046 -2.319 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 99 174.630 -1.301 -2.233 1.00 0.00 H new ATOM 1497 N LEU A 100 174.492 2.210 -2.466 1.00 0.00 N ATOM 1498 CA LEU A 100 175.689 2.832 -3.018 1.00 0.00 C ATOM 1499 C LEU A 100 175.482 4.334 -3.164 1.00 0.00 C ATOM 1500 O LEU A 100 176.379 5.131 -2.891 1.00 0.00 O ATOM 1501 CB LEU A 100 176.010 2.206 -4.382 1.00 0.00 C ATOM 1502 CG LEU A 100 177.175 2.830 -5.162 1.00 0.00 C ATOM 1503 CD1 LEU A 100 176.665 3.908 -6.106 1.00 0.00 C ATOM 1504 CD2 LEU A 100 178.231 3.400 -4.225 1.00 0.00 C ATOM 0 H LEU A 100 173.993 1.613 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 100 176.526 2.663 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 100 176.228 1.149 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 100 175.115 2.261 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 100 177.643 2.040 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 100 177.504 4.340 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 100 175.960 3.469 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 100 176.165 4.688 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 100 179.041 3.834 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 100 177.783 4.171 -3.598 1.00 0.00 H new ATOM 0 HD23 LEU A 100 178.626 2.604 -3.594 1.00 0.00 H new ATOM 1516 N LEU A 101 174.282 4.706 -3.592 1.00 0.00 N ATOM 1517 CA LEU A 101 173.921 6.107 -3.779 1.00 0.00 C ATOM 1518 C LEU A 101 174.190 6.919 -2.519 1.00 0.00 C ATOM 1519 O LEU A 101 175.068 7.785 -2.482 1.00 0.00 O ATOM 1520 CB LEU A 101 172.432 6.197 -4.143 1.00 0.00 C ATOM 1521 CG LEU A 101 171.797 7.593 -4.110 1.00 0.00 C ATOM 1522 CD1 LEU A 101 171.185 7.864 -2.743 1.00 0.00 C ATOM 1523 CD2 LEU A 101 172.814 8.667 -4.463 1.00 0.00 C ATOM 0 H LEU A 101 173.535 4.050 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 101 174.531 6.519 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 101 172.301 5.788 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 101 171.876 5.554 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 101 171.006 7.623 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 101 170.738 8.858 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 101 170.417 7.119 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 101 171.961 7.809 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 101 172.335 9.646 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 101 173.634 8.641 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 101 173.202 8.485 -5.465 1.00 0.00 H new ATOM 1535 N HIS A 102 173.407 6.637 -1.499 1.00 0.00 N ATOM 1536 CA HIS A 102 173.518 7.344 -0.225 1.00 0.00 C ATOM 1537 C HIS A 102 174.883 7.150 0.425 1.00 0.00 C ATOM 1538 O HIS A 102 175.504 8.116 0.862 1.00 0.00 O ATOM 1539 CB HIS A 102 172.418 6.885 0.733 1.00 0.00 C ATOM 1540 CG HIS A 102 172.218 7.798 1.904 1.00 0.00 C ATOM 1541 ND1 HIS A 102 171.102 7.706 2.701 1.00 0.00 N ATOM 1542 CD2 HIS A 102 173.012 8.793 2.370 1.00 0.00 C ATOM 1543 CE1 HIS A 102 171.241 8.637 3.628 1.00 0.00 C ATOM 1544 NE2 HIS A 102 172.382 9.323 3.468 1.00 0.00 N ATOM 0 H HIS A 102 172.681 5.921 -1.521 1.00 0.00 H new ATOM 0 HA HIS A 102 173.401 8.407 -0.436 1.00 0.00 H new ATOM 0 HB2 HIS A 102 171.480 6.804 0.183 1.00 0.00 H new ATOM 0 HB3 HIS A 102 172.660 5.887 1.099 1.00 0.00 H new ATOM 0 HD2 HIS A 102 173.959 9.108 1.957 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.526 8.822 4.416 1.00 0.00 H new ATOM 0 HE2 HIS A 102 172.717 10.091 4.050 1.00 0.00 H new ATOM 1552 N LEU A 103 175.348 5.910 0.511 1.00 0.00 N ATOM 1553 CA LEU A 103 176.628 5.632 1.135 1.00 0.00 C ATOM 1554 C LEU A 103 177.755 6.466 0.531 1.00 0.00 C ATOM 1555 O LEU A 103 178.512 7.106 1.261 1.00 0.00 O ATOM 1556 CB LEU A 103 176.938 4.148 1.027 1.00 0.00 C ATOM 1557 CG LEU A 103 176.117 3.263 1.962 1.00 0.00 C ATOM 1558 CD1 LEU A 103 176.360 1.800 1.652 1.00 0.00 C ATOM 1559 CD2 LEU A 103 176.450 3.569 3.414 1.00 0.00 C ATOM 0 H LEU A 103 174.859 5.088 0.158 1.00 0.00 H new ATOM 0 HA LEU A 103 176.558 5.912 2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 103 176.767 3.827 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 103 177.996 3.994 1.237 1.00 0.00 H new ATOM 0 HG LEU A 103 175.060 3.476 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 103 175.768 1.182 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 103 176.070 1.593 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 103 177.417 1.571 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 103 175.856 2.929 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 103 177.509 3.384 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 103 176.224 4.614 3.627 1.00 0.00 H new ATOM 1571 N LYS A 104 177.869 6.469 -0.794 1.00 0.00 N ATOM 1572 CA LYS A 104 178.916 7.242 -1.448 1.00 0.00 C ATOM 1573 C LYS A 104 178.730 8.731 -1.175 1.00 0.00 C ATOM 1574 O LYS A 104 179.696 9.445 -0.922 1.00 0.00 O ATOM 1575 CB LYS A 104 178.943 6.964 -2.955 1.00 0.00 C ATOM 1576 CG LYS A 104 177.958 7.793 -3.765 1.00 0.00 C ATOM 1577 CD LYS A 104 177.581 7.098 -5.060 1.00 0.00 C ATOM 1578 CE LYS A 104 178.738 7.098 -6.045 1.00 0.00 C ATOM 1579 NZ LYS A 104 179.612 5.904 -5.881 1.00 0.00 N ATOM 0 H LYS A 104 177.258 5.952 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 104 179.876 6.934 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 104 179.950 7.151 -3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 104 178.733 5.907 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 104 177.061 7.975 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 104 178.396 8.766 -3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 104 177.280 6.072 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 104 176.721 7.598 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 104 178.348 7.124 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 104 179.331 8.002 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 180.602 6.172 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 179.517 5.534 -4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 179.329 5.170 -6.562 1.00 0.00 H new ATOM 1593 N LYS A 105 177.486 9.200 -1.230 1.00 0.00 N ATOM 1594 CA LYS A 105 177.198 10.601 -0.984 1.00 0.00 C ATOM 1595 C LYS A 105 177.602 11.020 0.430 1.00 0.00 C ATOM 1596 O LYS A 105 177.941 12.178 0.668 1.00 0.00 O ATOM 1597 CB LYS A 105 175.711 10.862 -1.217 1.00 0.00 C ATOM 1598 CG LYS A 105 175.459 11.712 -2.443 1.00 0.00 C ATOM 1599 CD LYS A 105 174.340 11.148 -3.296 1.00 0.00 C ATOM 1600 CE LYS A 105 173.909 12.131 -4.374 1.00 0.00 C ATOM 1601 NZ LYS A 105 173.731 13.506 -3.832 1.00 0.00 N ATOM 0 H LYS A 105 176.668 8.629 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 105 177.786 11.201 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 105 175.191 9.910 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 105 175.291 11.358 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 105 175.207 12.727 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 105 176.372 11.776 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 105 174.669 10.218 -3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 105 173.487 10.904 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 105 174.654 12.148 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 105 172.974 11.793 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 173.131 14.058 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 173.279 13.455 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 174.659 13.967 -3.743 1.00 0.00 H new ATOM 1615 N LEU A 106 177.562 10.075 1.362 1.00 0.00 N ATOM 1616 CA LEU A 106 177.919 10.352 2.750 1.00 0.00 C ATOM 1617 C LEU A 106 179.424 10.300 2.952 1.00 0.00 C ATOM 1618 O LEU A 106 180.051 11.294 3.317 1.00 0.00 O ATOM 1619 CB LEU A 106 177.231 9.357 3.685 1.00 0.00 C ATOM 1620 CG LEU A 106 175.849 9.784 4.178 1.00 0.00 C ATOM 1621 CD1 LEU A 106 175.157 8.632 4.889 1.00 0.00 C ATOM 1622 CD2 LEU A 106 175.961 10.990 5.099 1.00 0.00 C ATOM 0 H LEU A 106 177.286 9.110 1.183 1.00 0.00 H new ATOM 0 HA LEU A 106 177.578 11.360 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 106 177.137 8.402 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 106 177.873 9.190 4.550 1.00 0.00 H new ATOM 0 HG LEU A 106 175.247 10.066 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 106 174.174 8.955 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.044 7.795 4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 106 175.756 8.320 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 106 174.967 11.280 5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.580 10.735 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 106 176.416 11.820 4.558 1.00 0.00 H new ATOM 1634 N PHE A 107 179.996 9.132 2.709 1.00 0.00 N ATOM 1635 CA PHE A 107 181.434 8.938 2.859 1.00 0.00 C ATOM 1636 C PHE A 107 182.206 9.963 2.031 1.00 0.00 C ATOM 1637 O PHE A 107 183.360 10.273 2.327 1.00 0.00 O ATOM 1638 CB PHE A 107 181.828 7.513 2.455 1.00 0.00 C ATOM 1639 CG PHE A 107 182.811 6.881 3.399 1.00 0.00 C ATOM 1640 CD1 PHE A 107 184.043 7.470 3.632 1.00 0.00 C ATOM 1641 CD2 PHE A 107 182.501 5.701 4.056 1.00 0.00 C ATOM 1642 CE1 PHE A 107 184.948 6.894 4.503 1.00 0.00 C ATOM 1643 CE2 PHE A 107 183.403 5.120 4.928 1.00 0.00 C ATOM 1644 CZ PHE A 107 184.628 5.718 5.151 1.00 0.00 C ATOM 0 H PHE A 107 179.488 8.301 2.406 1.00 0.00 H new ATOM 0 HA PHE A 107 181.692 9.083 3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 107 180.931 6.895 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 107 182.257 7.532 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 107 184.299 8.390 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 107 181.544 5.230 3.885 1.00 0.00 H new ATOM 0 HE1 PHE A 107 185.905 7.364 4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 107 183.150 4.200 5.434 1.00 0.00 H new ATOM 0 HZ PHE A 107 185.334 5.266 5.831 1.00 0.00 H new ATOM 1654 N ARG A 108 181.557 10.488 0.995 1.00 0.00 N ATOM 1655 CA ARG A 108 182.175 11.481 0.125 1.00 0.00 C ATOM 1656 C ARG A 108 181.929 12.893 0.648 1.00 0.00 C ATOM 1657 O ARG A 108 182.839 13.721 0.676 1.00 0.00 O ATOM 1658 CB ARG A 108 181.633 11.351 -1.299 1.00 0.00 C ATOM 1659 CG ARG A 108 182.389 12.188 -2.317 1.00 0.00 C ATOM 1660 CD ARG A 108 182.054 11.772 -3.740 1.00 0.00 C ATOM 1661 NE ARG A 108 181.988 12.917 -4.645 1.00 0.00 N ATOM 1662 CZ ARG A 108 181.002 13.812 -4.638 1.00 0.00 C ATOM 1663 NH1 ARG A 108 179.999 13.698 -3.776 1.00 0.00 N ATOM 1664 NH2 ARG A 108 181.019 14.824 -5.495 1.00 0.00 N ATOM 0 H ARG A 108 180.601 10.241 0.738 1.00 0.00 H new ATOM 0 HA ARG A 108 183.250 11.299 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 108 181.674 10.304 -1.600 1.00 0.00 H new ATOM 0 HB3 ARG A 108 180.583 11.645 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 108 182.144 13.241 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 108 183.461 12.085 -2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 108 182.806 11.070 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 108 181.098 11.248 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 108 182.741 13.038 -5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 108 179.981 12.922 -3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 108 179.246 14.387 -3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 108 181.787 14.917 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 108 180.264 15.510 -5.490 1.00 0.00 H new ATOM 1678 N GLU A 109 180.693 13.165 1.062 1.00 0.00 N ATOM 1679 CA GLU A 109 180.338 14.483 1.581 1.00 0.00 C ATOM 1680 C GLU A 109 181.120 14.801 2.852 1.00 0.00 C ATOM 1681 O GLU A 109 181.321 15.967 3.192 1.00 0.00 O ATOM 1682 CB GLU A 109 178.837 14.561 1.863 1.00 0.00 C ATOM 1683 CG GLU A 109 178.004 14.903 0.638 1.00 0.00 C ATOM 1684 CD GLU A 109 177.640 16.373 0.572 1.00 0.00 C ATOM 1685 OE1 GLU A 109 178.456 17.207 1.017 1.00 0.00 O ATOM 1686 OE2 GLU A 109 176.538 16.690 0.077 1.00 0.00 O ATOM 0 H GLU A 109 179.925 12.494 1.048 1.00 0.00 H new ATOM 0 HA GLU A 109 180.597 15.221 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 109 178.501 13.605 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 109 178.659 15.311 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 109 178.557 14.629 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 109 177.092 14.307 0.646 1.00 0.00 H new ATOM 1693 N GLY A 110 181.558 13.759 3.553 1.00 0.00 N ATOM 1694 CA GLY A 110 182.311 13.955 4.778 1.00 0.00 C ATOM 1695 C GLY A 110 183.753 14.330 4.518 1.00 0.00 C ATOM 1696 O GLY A 110 184.285 15.255 5.131 1.00 0.00 O ATOM 0 H GLY A 110 181.405 12.784 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 110 181.837 14.737 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 110 182.278 13.041 5.371 1.00 0.00 H new