USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 472 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 48 MET CE :methyl 150:sc= 0 (180deg=-0.572) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.898 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.837 K(o=-0.84,f=-0.27) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0576 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00255) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 0.502 (180deg=0.359) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 25 TYR OH : rot 15:sc= -0.911 USER MOD Single : A 27 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.5!) USER MOD Single : A 40 CYS SG : rot 10:sc= -0.787 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= -0.036 (180deg=-0.317) USER MOD Single : A 42 CYS SG : rot -172:sc= -9.16! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.065 K(o=-0.065,f=-1.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 SER OG : rot 29:sc= 0.276 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.102) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -7.15! C(o=-7.1!,f=-7!) USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.105) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.3!) USER MOD Single : A 71 LYS NZ :NH3+ -132:sc= 0.208 (180deg=-0.696) USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -0.36 (180deg=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -0.928 -3.993 -7.886 1.00 0.00 N ATOM 67 CA TYR A 8 -0.261 -4.050 -6.591 1.00 0.00 C ATOM 68 C TYR A 8 -1.157 -3.487 -5.492 1.00 0.00 C ATOM 69 O TYR A 8 -1.059 -3.885 -4.331 1.00 0.00 O ATOM 70 CB TYR A 8 1.057 -3.275 -6.637 1.00 0.00 C ATOM 71 CG TYR A 8 1.728 -3.303 -7.991 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.416 -2.361 -8.963 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.675 -4.272 -8.299 1.00 0.00 C ATOM 74 CE1 TYR A 8 2.026 -2.383 -10.202 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.292 -4.301 -9.535 1.00 0.00 C ATOM 76 CZ TYR A 8 2.964 -3.354 -10.483 1.00 0.00 C ATOM 77 OH TYR A 8 3.575 -3.381 -11.716 1.00 0.00 O ATOM 0 HA TYR A 8 -0.052 -5.095 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.870 -2.239 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.739 -3.689 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.683 -1.598 -8.746 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.933 -5.015 -7.559 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.770 -1.644 -10.947 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.027 -5.061 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 8 4.210 -4.127 -11.750 1.00 0.00 H new ATOM 87 N ILE A 9 -2.031 -2.559 -5.868 1.00 0.00 N ATOM 88 CA ILE A 9 -2.946 -1.941 -4.916 1.00 0.00 C ATOM 89 C ILE A 9 -3.332 -2.919 -3.811 1.00 0.00 C ATOM 90 O ILE A 9 -3.378 -2.558 -2.636 1.00 0.00 O ATOM 91 CB ILE A 9 -4.225 -1.437 -5.610 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.870 -0.673 -6.887 1.00 0.00 C ATOM 93 CG2 ILE A 9 -5.028 -0.556 -4.665 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.841 0.415 -6.675 1.00 0.00 C ATOM 0 H ILE A 9 -2.125 -2.219 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.421 -1.091 -4.479 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.837 -2.297 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.494 -1.377 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.776 -0.229 -7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.929 -0.207 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.306 -1.130 -3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.425 0.301 -4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.638 0.914 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.222 1.141 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.920 -0.025 -6.292 1.00 0.00 H new ATOM 106 N GLY A 10 -3.608 -4.162 -4.197 1.00 0.00 N ATOM 107 CA GLY A 10 -3.985 -5.174 -3.228 1.00 0.00 C ATOM 108 C GLY A 10 -2.800 -5.991 -2.752 1.00 0.00 C ATOM 109 O GLY A 10 -2.767 -6.442 -1.607 1.00 0.00 O ATOM 0 H GLY A 10 -3.577 -4.485 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.459 -4.694 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.726 -5.839 -3.671 1.00 0.00 H new ATOM 113 N LEU A 11 -1.824 -6.183 -3.633 1.00 0.00 N ATOM 114 CA LEU A 11 -0.632 -6.953 -3.297 1.00 0.00 C ATOM 115 C LEU A 11 -0.218 -6.713 -1.849 1.00 0.00 C ATOM 116 O LEU A 11 -0.157 -7.645 -1.047 1.00 0.00 O ATOM 117 CB LEU A 11 0.519 -6.584 -4.236 1.00 0.00 C ATOM 118 CG LEU A 11 0.578 -7.350 -5.558 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.843 -6.996 -6.324 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.505 -8.850 -5.310 1.00 0.00 C ATOM 0 H LEU A 11 -1.835 -5.816 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.867 -8.010 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.453 -5.519 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.458 -6.741 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.282 -7.060 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.868 -7.551 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.854 -5.927 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.716 -7.257 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.548 -9.379 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.344 -9.157 -4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.430 -9.090 -4.804 1.00 0.00 H new ATOM 132 N VAL A 12 0.063 -5.456 -1.520 1.00 0.00 N ATOM 133 CA VAL A 12 0.468 -5.093 -0.167 1.00 0.00 C ATOM 134 C VAL A 12 -0.550 -5.577 0.860 1.00 0.00 C ATOM 135 O VAL A 12 -0.233 -6.393 1.725 1.00 0.00 O ATOM 136 CB VAL A 12 0.640 -3.569 -0.023 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.928 -3.198 1.424 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.746 -3.069 -0.941 1.00 0.00 C ATOM 0 H VAL A 12 0.018 -4.672 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 12 1.426 -5.579 0.018 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.292 -3.086 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.046 -2.118 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.099 -3.521 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.845 -3.689 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.854 -1.990 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.685 -3.558 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.493 -3.300 -1.976 1.00 0.00 H new ATOM 148 N ASN A 13 -1.773 -5.069 0.757 1.00 0.00 N ATOM 149 CA ASN A 13 -2.839 -5.450 1.677 1.00 0.00 C ATOM 150 C ASN A 13 -2.697 -6.910 2.099 1.00 0.00 C ATOM 151 O ASN A 13 -2.468 -7.208 3.271 1.00 0.00 O ATOM 152 CB ASN A 13 -4.206 -5.226 1.029 1.00 0.00 C ATOM 153 CG ASN A 13 -4.558 -3.755 0.916 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.193 -3.187 1.805 1.00 0.00 O ATOM 155 ND2 ASN A 13 -4.147 -3.131 -0.182 1.00 0.00 N ATOM 0 H ASN A 13 -2.051 -4.393 0.046 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.759 -4.823 2.565 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.212 -5.676 0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.971 -5.736 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.355 -2.141 -0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.623 -3.642 -0.893 1.00 0.00 H new ATOM 162 N SER A 14 -2.835 -7.815 1.136 1.00 0.00 N ATOM 163 CA SER A 14 -2.725 -9.243 1.407 1.00 0.00 C ATOM 164 C SER A 14 -1.334 -9.592 1.928 1.00 0.00 C ATOM 165 O SER A 14 -1.190 -10.363 2.877 1.00 0.00 O ATOM 166 CB SER A 14 -3.025 -10.049 0.142 1.00 0.00 C ATOM 167 OG SER A 14 -1.959 -9.955 -0.787 1.00 0.00 O ATOM 0 H SER A 14 -3.023 -7.584 0.160 1.00 0.00 H new ATOM 0 HA SER A 14 -3.456 -9.499 2.174 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.192 -11.094 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.944 -9.684 -0.316 1.00 0.00 H new ATOM 0 HG SER A 14 -2.174 -10.480 -1.586 1.00 0.00 H new ATOM 173 N PHE A 15 -0.313 -9.018 1.301 1.00 0.00 N ATOM 174 CA PHE A 15 1.067 -9.269 1.699 1.00 0.00 C ATOM 175 C PHE A 15 1.236 -9.104 3.207 1.00 0.00 C ATOM 176 O PHE A 15 1.824 -9.956 3.873 1.00 0.00 O ATOM 177 CB PHE A 15 2.013 -8.319 0.962 1.00 0.00 C ATOM 178 CG PHE A 15 3.464 -8.677 1.117 1.00 0.00 C ATOM 179 CD1 PHE A 15 4.153 -8.346 2.272 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.137 -9.346 0.108 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.488 -8.674 2.417 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.472 -9.677 0.247 1.00 0.00 C ATOM 183 CZ PHE A 15 6.148 -9.341 1.404 1.00 0.00 C ATOM 0 H PHE A 15 -0.415 -8.376 0.515 1.00 0.00 H new ATOM 0 HA PHE A 15 1.315 -10.297 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.759 -8.316 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.856 -7.305 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.641 -7.826 3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.613 -9.612 -0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.014 -8.409 3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.986 -10.197 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.191 -9.600 1.516 1.00 0.00 H new ATOM 193 N ALA A 16 0.717 -8.002 3.738 1.00 0.00 N ATOM 194 CA ALA A 16 0.808 -7.726 5.166 1.00 0.00 C ATOM 195 C ALA A 16 0.280 -8.898 5.987 1.00 0.00 C ATOM 196 O ALA A 16 1.039 -9.570 6.684 1.00 0.00 O ATOM 197 CB ALA A 16 0.047 -6.454 5.508 1.00 0.00 C ATOM 0 H ALA A 16 0.229 -7.286 3.200 1.00 0.00 H new ATOM 0 HA ALA A 16 1.859 -7.585 5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.124 -6.261 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.473 -5.616 4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.002 -6.573 5.235 1.00 0.00 H new ATOM 203 N GLN A 17 -1.025 -9.135 5.899 1.00 0.00 N ATOM 204 CA GLN A 17 -1.654 -10.225 6.635 1.00 0.00 C ATOM 205 C GLN A 17 -0.857 -11.517 6.482 1.00 0.00 C ATOM 206 O GLN A 17 -0.477 -12.145 7.470 1.00 0.00 O ATOM 207 CB GLN A 17 -3.089 -10.437 6.148 1.00 0.00 C ATOM 208 CG GLN A 17 -3.976 -11.144 7.160 1.00 0.00 C ATOM 209 CD GLN A 17 -5.216 -11.746 6.528 1.00 0.00 C ATOM 210 OE1 GLN A 17 -5.330 -12.965 6.396 1.00 0.00 O ATOM 211 NE2 GLN A 17 -6.154 -10.892 6.133 1.00 0.00 N ATOM 0 H GLN A 17 -1.667 -8.587 5.326 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.672 -9.953 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.528 -9.469 5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.069 -11.018 5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.404 -11.931 7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.274 -10.436 7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.018 -9.889 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.010 -11.239 5.701 1.00 0.00 H new ATOM 220 N LYS A 18 -0.607 -11.908 5.237 1.00 0.00 N ATOM 221 CA LYS A 18 0.146 -13.124 4.953 1.00 0.00 C ATOM 222 C LYS A 18 1.487 -13.116 5.680 1.00 0.00 C ATOM 223 O LYS A 18 1.914 -14.132 6.229 1.00 0.00 O ATOM 224 CB LYS A 18 0.371 -13.269 3.447 1.00 0.00 C ATOM 225 CG LYS A 18 -0.903 -13.542 2.665 1.00 0.00 C ATOM 226 CD LYS A 18 -0.603 -13.923 1.225 1.00 0.00 C ATOM 227 CE LYS A 18 -0.329 -15.413 1.089 1.00 0.00 C ATOM 228 NZ LYS A 18 -1.586 -16.211 1.091 1.00 0.00 N ATOM 0 H LYS A 18 -0.915 -11.400 4.408 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.436 -13.974 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.832 -12.357 3.068 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.077 -14.080 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.461 -14.345 3.146 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.539 -12.657 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.446 -13.648 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.260 -13.359 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.217 -15.599 0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.310 -15.741 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.375 -17.191 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.259 -15.797 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.003 -16.204 0.138 1.00 0.00 H new ATOM 242 N LYS A 19 2.147 -11.962 5.681 1.00 0.00 N ATOM 243 CA LYS A 19 3.439 -11.820 6.342 1.00 0.00 C ATOM 244 C LYS A 19 3.263 -11.368 7.788 1.00 0.00 C ATOM 245 O LYS A 19 4.205 -10.886 8.418 1.00 0.00 O ATOM 246 CB LYS A 19 4.314 -10.818 5.586 1.00 0.00 C ATOM 247 CG LYS A 19 5.077 -11.432 4.424 1.00 0.00 C ATOM 248 CD LYS A 19 4.166 -11.694 3.236 1.00 0.00 C ATOM 249 CE LYS A 19 4.910 -12.388 2.106 1.00 0.00 C ATOM 250 NZ LYS A 19 4.035 -12.614 0.922 1.00 0.00 N ATOM 0 H LYS A 19 1.808 -11.112 5.231 1.00 0.00 H new ATOM 0 HA LYS A 19 3.929 -12.794 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.686 -10.010 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.025 -10.372 6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.885 -10.764 4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.538 -12.367 4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.324 -12.310 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.754 -10.751 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.769 -11.785 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.297 -13.344 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.444 -13.362 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.088 -12.903 1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.961 -11.735 0.372 1.00 0.00 H new ATOM 264 N LYS A 20 2.052 -11.528 8.310 1.00 0.00 N ATOM 265 CA LYS A 20 1.752 -11.139 9.683 1.00 0.00 C ATOM 266 C LYS A 20 2.352 -9.774 10.005 1.00 0.00 C ATOM 267 O LYS A 20 2.805 -9.532 11.125 1.00 0.00 O ATOM 268 CB LYS A 20 2.289 -12.187 10.660 1.00 0.00 C ATOM 269 CG LYS A 20 1.387 -13.401 10.805 1.00 0.00 C ATOM 270 CD LYS A 20 0.096 -13.054 11.527 1.00 0.00 C ATOM 271 CE LYS A 20 -0.843 -14.249 11.595 1.00 0.00 C ATOM 272 NZ LYS A 20 -0.569 -15.103 12.784 1.00 0.00 N ATOM 0 H LYS A 20 1.261 -11.925 7.802 1.00 0.00 H new ATOM 0 HA LYS A 20 0.669 -11.074 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.273 -12.514 10.325 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.423 -11.725 11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.156 -13.804 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.913 -14.183 11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.323 -12.711 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.399 -12.230 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.875 -13.899 11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.739 -14.845 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.230 -15.906 12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.407 -15.458 12.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.693 -14.542 13.651 1.00 0.00 H new ATOM 286 N LEU A 21 2.351 -8.885 9.018 1.00 0.00 N ATOM 287 CA LEU A 21 2.894 -7.543 9.197 1.00 0.00 C ATOM 288 C LEU A 21 1.807 -6.570 9.643 1.00 0.00 C ATOM 289 O LEU A 21 0.635 -6.935 9.738 1.00 0.00 O ATOM 290 CB LEU A 21 3.532 -7.051 7.896 1.00 0.00 C ATOM 291 CG LEU A 21 5.011 -7.387 7.705 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.458 -7.045 6.293 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.862 -6.651 8.730 1.00 0.00 C ATOM 0 H LEU A 21 1.980 -9.069 8.086 1.00 0.00 H new ATOM 0 HA LEU A 21 3.657 -7.588 9.974 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.974 -7.471 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.416 -5.968 7.845 1.00 0.00 H new ATOM 0 HG LEU A 21 5.143 -8.458 7.856 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.513 -7.291 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.870 -7.618 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.312 -5.980 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.912 -6.902 8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.725 -5.576 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.559 -6.947 9.734 1.00 0.00 H new ATOM 305 N SER A 22 2.203 -5.330 9.912 1.00 0.00 N ATOM 306 CA SER A 22 1.262 -4.305 10.348 1.00 0.00 C ATOM 307 C SER A 22 1.199 -3.161 9.341 1.00 0.00 C ATOM 308 O SER A 22 2.145 -2.385 9.204 1.00 0.00 O ATOM 309 CB SER A 22 1.664 -3.767 11.723 1.00 0.00 C ATOM 310 OG SER A 22 1.058 -4.517 12.761 1.00 0.00 O ATOM 0 H SER A 22 3.169 -5.011 9.836 1.00 0.00 H new ATOM 0 HA SER A 22 0.274 -4.760 10.417 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.748 -3.804 11.829 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.371 -2.721 11.807 1.00 0.00 H new ATOM 0 HG SER A 22 1.332 -4.155 13.629 1.00 0.00 H new ATOM 316 N VAL A 23 0.076 -3.064 8.636 1.00 0.00 N ATOM 317 CA VAL A 23 -0.114 -2.015 7.641 1.00 0.00 C ATOM 318 C VAL A 23 -1.114 -0.972 8.126 1.00 0.00 C ATOM 319 O VAL A 23 -2.186 -1.310 8.624 1.00 0.00 O ATOM 320 CB VAL A 23 -0.602 -2.595 6.300 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.097 -2.872 6.351 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.265 -1.649 5.157 1.00 0.00 C ATOM 0 H VAL A 23 -0.716 -3.699 8.736 1.00 0.00 H new ATOM 0 HA VAL A 23 0.856 -1.541 7.491 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.088 -3.540 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.424 -3.281 5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.307 -3.590 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.632 -1.944 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.617 -2.074 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.751 -0.688 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.815 -1.506 5.109 1.00 0.00 H new ATOM 332 N ASN A 24 -0.755 0.299 7.975 1.00 0.00 N ATOM 333 CA ASN A 24 -1.621 1.394 8.398 1.00 0.00 C ATOM 334 C ASN A 24 -1.776 2.426 7.285 1.00 0.00 C ATOM 335 O ASN A 24 -0.796 2.836 6.664 1.00 0.00 O ATOM 336 CB ASN A 24 -1.058 2.062 9.654 1.00 0.00 C ATOM 337 CG ASN A 24 -1.398 1.296 10.918 1.00 0.00 C ATOM 338 OD1 ASN A 24 -0.517 0.746 11.579 1.00 0.00 O ATOM 339 ND2 ASN A 24 -2.681 1.256 11.259 1.00 0.00 N ATOM 0 H ASN A 24 0.130 0.596 7.563 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.604 0.980 8.625 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.025 2.146 9.563 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.451 3.076 9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.970 0.755 12.099 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.377 1.727 10.681 1.00 0.00 H new ATOM 346 N TYR A 25 -3.014 2.842 7.040 1.00 0.00 N ATOM 347 CA TYR A 25 -3.298 3.825 6.001 1.00 0.00 C ATOM 348 C TYR A 25 -4.044 5.025 6.576 1.00 0.00 C ATOM 349 O TYR A 25 -5.229 4.937 6.895 1.00 0.00 O ATOM 350 CB TYR A 25 -4.120 3.189 4.879 1.00 0.00 C ATOM 351 CG TYR A 25 -3.431 2.020 4.211 1.00 0.00 C ATOM 352 CD1 TYR A 25 -2.421 2.222 3.280 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.791 0.712 4.513 1.00 0.00 C ATOM 354 CE1 TYR A 25 -1.789 1.157 2.667 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.164 -0.360 3.907 1.00 0.00 C ATOM 356 CZ TYR A 25 -2.164 -0.132 2.984 1.00 0.00 C ATOM 357 OH TYR A 25 -1.537 -1.195 2.377 1.00 0.00 O ATOM 0 H TYR A 25 -3.836 2.514 7.547 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.348 4.172 5.595 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.075 2.854 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.341 3.947 4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.124 3.230 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.574 0.530 5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.006 1.333 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.455 -1.370 4.154 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.713 -0.886 1.945 1.00 0.00 H new ATOM 367 N GLU A 26 -3.340 6.145 6.704 1.00 0.00 N ATOM 368 CA GLU A 26 -3.935 7.363 7.240 1.00 0.00 C ATOM 369 C GLU A 26 -4.191 8.378 6.130 1.00 0.00 C ATOM 370 O GLU A 26 -3.577 8.315 5.065 1.00 0.00 O ATOM 371 CB GLU A 26 -3.024 7.976 8.307 1.00 0.00 C ATOM 372 CG GLU A 26 -1.678 8.432 7.769 1.00 0.00 C ATOM 373 CD GLU A 26 -0.840 9.137 8.817 1.00 0.00 C ATOM 374 OE1 GLU A 26 -1.398 9.964 9.566 1.00 0.00 O ATOM 375 OE2 GLU A 26 0.376 8.860 8.887 1.00 0.00 O ATOM 0 H GLU A 26 -2.358 6.234 6.444 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.890 7.100 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.532 8.827 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.861 7.244 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.130 7.568 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.837 9.103 6.925 1.00 0.00 H new ATOM 382 N GLN A 27 -5.101 9.312 6.389 1.00 0.00 N ATOM 383 CA GLN A 27 -5.438 10.340 5.411 1.00 0.00 C ATOM 384 C GLN A 27 -5.330 11.732 6.025 1.00 0.00 C ATOM 385 O GLN A 27 -6.007 12.043 7.006 1.00 0.00 O ATOM 386 CB GLN A 27 -6.852 10.116 4.872 1.00 0.00 C ATOM 387 CG GLN A 27 -7.358 11.253 3.999 1.00 0.00 C ATOM 388 CD GLN A 27 -8.864 11.413 4.063 1.00 0.00 C ATOM 389 OE1 GLN A 27 -9.596 10.441 4.252 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.336 12.645 3.907 1.00 0.00 N ATOM 0 H GLN A 27 -5.617 9.378 7.266 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.727 10.270 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.870 9.191 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.535 9.982 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.884 12.184 4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.059 11.074 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.693 13.422 3.753 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.341 12.814 3.942 1.00 0.00 H new ATOM 553 N PHE A 38 -6.790 14.792 -1.720 1.00 0.00 N ATOM 554 CA PHE A 38 -6.889 13.570 -0.930 1.00 0.00 C ATOM 555 C PHE A 38 -5.566 12.809 -0.937 1.00 0.00 C ATOM 556 O PHE A 38 -5.081 12.396 -1.991 1.00 0.00 O ATOM 557 CB PHE A 38 -8.007 12.677 -1.471 1.00 0.00 C ATOM 558 CG PHE A 38 -9.348 12.953 -0.853 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.684 12.410 0.376 1.00 0.00 C ATOM 560 CD2 PHE A 38 -10.272 13.757 -1.501 1.00 0.00 C ATOM 561 CE1 PHE A 38 -10.917 12.662 0.947 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.506 14.013 -0.935 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.829 13.466 0.291 1.00 0.00 C ATOM 0 HA PHE A 38 -7.122 13.849 0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.079 12.812 -2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.744 11.634 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.974 11.782 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.025 14.189 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.167 12.231 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.218 14.641 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.792 13.666 0.736 1.00 0.00 H new ATOM 573 N ILE A 39 -4.989 12.627 0.246 1.00 0.00 N ATOM 574 CA ILE A 39 -3.723 11.916 0.376 1.00 0.00 C ATOM 575 C ILE A 39 -3.823 10.802 1.413 1.00 0.00 C ATOM 576 O ILE A 39 -4.410 10.984 2.481 1.00 0.00 O ATOM 577 CB ILE A 39 -2.580 12.869 0.772 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.421 13.972 -0.276 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.280 12.096 0.938 1.00 0.00 C ATOM 580 CD1 ILE A 39 -1.644 15.171 0.222 1.00 0.00 C ATOM 0 H ILE A 39 -5.378 12.962 1.128 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.502 11.483 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.828 13.334 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.918 13.561 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.409 14.299 -0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.481 12.783 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.401 11.344 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.025 11.607 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.570 15.913 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.158 15.607 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.643 14.858 0.520 1.00 0.00 H new ATOM 592 N CYS A 40 -3.246 9.649 1.092 1.00 0.00 N ATOM 593 CA CYS A 40 -3.269 8.505 1.996 1.00 0.00 C ATOM 594 C CYS A 40 -1.858 7.984 2.250 1.00 0.00 C ATOM 595 O CYS A 40 -1.190 7.499 1.337 1.00 0.00 O ATOM 596 CB CYS A 40 -4.141 7.389 1.418 1.00 0.00 C ATOM 597 SG CYS A 40 -4.675 6.164 2.635 1.00 0.00 S ATOM 0 H CYS A 40 -2.757 9.482 0.213 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.692 8.832 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.022 7.834 0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.587 6.882 0.627 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.385 6.585 3.830 1.00 0.00 H new ATOM 603 N LYS A 41 -1.410 8.090 3.496 1.00 0.00 N ATOM 604 CA LYS A 41 -0.078 7.631 3.872 1.00 0.00 C ATOM 605 C LYS A 41 -0.103 6.160 4.276 1.00 0.00 C ATOM 606 O LYS A 41 -0.887 5.756 5.136 1.00 0.00 O ATOM 607 CB LYS A 41 0.470 8.477 5.023 1.00 0.00 C ATOM 608 CG LYS A 41 1.163 9.750 4.566 1.00 0.00 C ATOM 609 CD LYS A 41 2.647 9.524 4.333 1.00 0.00 C ATOM 610 CE LYS A 41 3.387 10.838 4.136 1.00 0.00 C ATOM 611 NZ LYS A 41 3.393 11.662 5.376 1.00 0.00 N ATOM 0 H LYS A 41 -1.950 8.490 4.263 1.00 0.00 H new ATOM 0 HA LYS A 41 0.574 7.741 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.349 8.739 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.174 7.877 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.700 10.108 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.026 10.529 5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.072 8.990 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.787 8.892 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.413 10.635 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.919 11.401 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.151 12.372 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.476 12.142 5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.556 11.048 6.200 1.00 0.00 H new ATOM 625 N CYS A 42 0.759 5.365 3.652 1.00 0.00 N ATOM 626 CA CYS A 42 0.836 3.939 3.948 1.00 0.00 C ATOM 627 C CYS A 42 2.119 3.608 4.702 1.00 0.00 C ATOM 628 O CYS A 42 3.208 3.612 4.129 1.00 0.00 O ATOM 629 CB CYS A 42 0.765 3.125 2.655 1.00 0.00 C ATOM 630 SG CYS A 42 2.134 3.431 1.514 1.00 0.00 S ATOM 0 H CYS A 42 1.414 5.684 2.938 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.012 3.678 4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.746 2.065 2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.173 3.349 2.148 1.00 0.00 H new ATOM 0 HG CYS A 42 1.896 2.837 0.382 1.00 0.00 H new ATOM 636 N LYS A 43 1.983 3.323 5.993 1.00 0.00 N ATOM 637 CA LYS A 43 3.131 2.991 6.828 1.00 0.00 C ATOM 638 C LYS A 43 3.032 1.559 7.345 1.00 0.00 C ATOM 639 O LYS A 43 1.956 1.103 7.733 1.00 0.00 O ATOM 640 CB LYS A 43 3.230 3.963 8.006 1.00 0.00 C ATOM 641 CG LYS A 43 4.080 5.188 7.714 1.00 0.00 C ATOM 642 CD LYS A 43 3.959 6.226 8.816 1.00 0.00 C ATOM 643 CE LYS A 43 4.984 7.337 8.650 1.00 0.00 C ATOM 644 NZ LYS A 43 4.459 8.456 7.820 1.00 0.00 N ATOM 0 H LYS A 43 1.089 3.315 6.484 1.00 0.00 H new ATOM 0 HA LYS A 43 4.029 3.077 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.227 4.285 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.647 3.438 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.123 4.891 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.773 5.627 6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.955 6.651 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.094 5.746 9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.271 7.716 9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.885 6.934 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.187 9.193 7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.209 8.100 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.614 8.858 8.274 1.00 0.00 H new ATOM 658 N ILE A 44 4.159 0.856 7.347 1.00 0.00 N ATOM 659 CA ILE A 44 4.198 -0.523 7.819 1.00 0.00 C ATOM 660 C ILE A 44 5.149 -0.673 9.001 1.00 0.00 C ATOM 661 O ILE A 44 6.368 -0.615 8.843 1.00 0.00 O ATOM 662 CB ILE A 44 4.632 -1.488 6.700 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.679 -1.383 5.507 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.679 -2.917 7.222 1.00 0.00 C ATOM 665 CD1 ILE A 44 3.633 -2.633 4.658 1.00 0.00 C ATOM 0 H ILE A 44 5.057 1.218 7.027 1.00 0.00 H new ATOM 0 HA ILE A 44 3.186 -0.777 8.135 1.00 0.00 H new ATOM 0 HB ILE A 44 5.632 -1.209 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.675 -1.165 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.981 -0.541 4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.987 -3.587 6.420 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.393 -2.981 8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.690 -3.207 7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.938 -2.486 3.832 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.627 -2.841 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.301 -3.474 5.267 1.00 0.00 H new ATOM 677 N GLY A 45 4.583 -0.868 10.188 1.00 0.00 N ATOM 678 CA GLY A 45 5.395 -1.025 11.381 1.00 0.00 C ATOM 679 C GLY A 45 6.050 0.272 11.812 1.00 0.00 C ATOM 680 O GLY A 45 7.194 0.276 12.264 1.00 0.00 O ATOM 0 H GLY A 45 3.577 -0.920 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.773 -1.401 12.193 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.165 -1.774 11.196 1.00 0.00 H new ATOM 684 N GLN A 46 5.323 1.376 11.669 1.00 0.00 N ATOM 685 CA GLN A 46 5.842 2.686 12.045 1.00 0.00 C ATOM 686 C GLN A 46 6.935 3.135 11.080 1.00 0.00 C ATOM 687 O GLN A 46 7.799 3.938 11.434 1.00 0.00 O ATOM 688 CB GLN A 46 6.389 2.650 13.473 1.00 0.00 C ATOM 689 CG GLN A 46 6.560 4.027 14.093 1.00 0.00 C ATOM 690 CD GLN A 46 7.498 4.019 15.284 1.00 0.00 C ATOM 691 OE1 GLN A 46 8.363 3.150 15.402 1.00 0.00 O ATOM 692 NE2 GLN A 46 7.333 4.989 16.176 1.00 0.00 N ATOM 0 H GLN A 46 4.374 1.389 11.296 1.00 0.00 H new ATOM 0 HA GLN A 46 5.022 3.402 11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.716 2.061 14.096 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.352 2.139 13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.942 4.716 13.339 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.586 4.404 14.405 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.604 5.689 16.039 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.936 5.034 16.998 1.00 0.00 H new ATOM 701 N THR A 47 6.892 2.612 9.859 1.00 0.00 N ATOM 702 CA THR A 47 7.879 2.958 8.844 1.00 0.00 C ATOM 703 C THR A 47 7.206 3.461 7.572 1.00 0.00 C ATOM 704 O THR A 47 6.240 2.868 7.094 1.00 0.00 O ATOM 705 CB THR A 47 8.773 1.752 8.496 1.00 0.00 C ATOM 706 OG1 THR A 47 9.428 1.271 9.675 1.00 0.00 O ATOM 707 CG2 THR A 47 9.812 2.133 7.452 1.00 0.00 C ATOM 0 H THR A 47 6.184 1.947 9.549 1.00 0.00 H new ATOM 0 HA THR A 47 8.498 3.751 9.262 1.00 0.00 H new ATOM 0 HB THR A 47 8.140 0.965 8.086 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.993 0.504 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.432 1.266 7.222 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.310 2.471 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.440 2.935 7.840 1.00 0.00 H new ATOM 715 N MET A 48 7.724 4.558 7.029 1.00 0.00 N ATOM 716 CA MET A 48 7.173 5.140 5.810 1.00 0.00 C ATOM 717 C MET A 48 7.497 4.272 4.599 1.00 0.00 C ATOM 718 O MET A 48 8.665 4.045 4.280 1.00 0.00 O ATOM 719 CB MET A 48 7.720 6.553 5.602 1.00 0.00 C ATOM 720 CG MET A 48 7.064 7.295 4.448 1.00 0.00 C ATOM 721 SD MET A 48 8.078 8.650 3.828 1.00 0.00 S ATOM 722 CE MET A 48 7.000 9.332 2.571 1.00 0.00 C ATOM 0 H MET A 48 8.524 5.061 7.413 1.00 0.00 H new ATOM 0 HA MET A 48 6.090 5.191 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.580 7.126 6.518 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.794 6.495 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.865 6.594 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.101 7.687 4.774 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.186 10.401 2.473 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.196 8.841 1.618 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.961 9.170 2.856 1.00 0.00 H new ATOM 732 N TYR A 49 6.458 3.789 3.927 1.00 0.00 N ATOM 733 CA TYR A 49 6.634 2.944 2.752 1.00 0.00 C ATOM 734 C TYR A 49 6.201 3.675 1.485 1.00 0.00 C ATOM 735 O TYR A 49 6.958 3.768 0.519 1.00 0.00 O ATOM 736 CB TYR A 49 5.833 1.649 2.905 1.00 0.00 C ATOM 737 CG TYR A 49 6.606 0.535 3.573 1.00 0.00 C ATOM 738 CD1 TYR A 49 7.177 0.714 4.827 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.767 -0.697 2.950 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.885 -0.302 5.441 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.472 -1.718 3.557 1.00 0.00 C ATOM 742 CZ TYR A 49 8.029 -1.516 4.803 1.00 0.00 C ATOM 743 OH TYR A 49 8.733 -2.530 5.410 1.00 0.00 O ATOM 0 H TYR A 49 5.485 3.968 4.176 1.00 0.00 H new ATOM 0 HA TYR A 49 7.693 2.701 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.933 1.854 3.485 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.508 1.314 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.066 1.663 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.333 -0.859 1.974 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.323 -0.146 6.416 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.587 -2.669 3.059 1.00 0.00 H new ATOM 0 HH TYR A 49 8.652 -2.448 6.383 1.00 0.00 H new ATOM 753 N GLY A 50 4.977 4.194 1.498 1.00 0.00 N ATOM 754 CA GLY A 50 4.464 4.912 0.345 1.00 0.00 C ATOM 755 C GLY A 50 3.470 5.990 0.729 1.00 0.00 C ATOM 756 O GLY A 50 3.022 6.054 1.875 1.00 0.00 O ATOM 0 H GLY A 50 4.332 4.130 2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.295 5.364 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.986 4.207 -0.335 1.00 0.00 H new ATOM 760 N THR A 51 3.123 6.842 -0.230 1.00 0.00 N ATOM 761 CA THR A 51 2.178 7.925 0.014 1.00 0.00 C ATOM 762 C THR A 51 1.285 8.159 -1.200 1.00 0.00 C ATOM 763 O THR A 51 1.734 8.674 -2.223 1.00 0.00 O ATOM 764 CB THR A 51 2.905 9.237 0.363 1.00 0.00 C ATOM 765 OG1 THR A 51 3.803 9.023 1.457 1.00 0.00 O ATOM 766 CG2 THR A 51 1.908 10.328 0.724 1.00 0.00 C ATOM 0 H THR A 51 3.482 6.803 -1.184 1.00 0.00 H new ATOM 0 HA THR A 51 1.563 7.623 0.862 1.00 0.00 H new ATOM 0 HB THR A 51 3.470 9.558 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.263 9.861 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.444 11.245 0.967 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.244 10.509 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.320 10.013 1.586 1.00 0.00 H new ATOM 774 N GLY A 52 0.017 7.777 -1.078 1.00 0.00 N ATOM 775 CA GLY A 52 -0.919 7.955 -2.173 1.00 0.00 C ATOM 776 C GLY A 52 -1.514 9.348 -2.206 1.00 0.00 C ATOM 777 O GLY A 52 -1.717 9.969 -1.163 1.00 0.00 O ATOM 0 H GLY A 52 -0.378 7.348 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.411 7.758 -3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.721 7.223 -2.084 1.00 0.00 H new ATOM 781 N SER A 53 -1.794 9.842 -3.408 1.00 0.00 N ATOM 782 CA SER A 53 -2.365 11.173 -3.574 1.00 0.00 C ATOM 783 C SER A 53 -3.230 11.241 -4.829 1.00 0.00 C ATOM 784 O SER A 53 -2.765 10.962 -5.933 1.00 0.00 O ATOM 785 CB SER A 53 -1.254 12.222 -3.649 1.00 0.00 C ATOM 786 OG SER A 53 -0.331 11.914 -4.680 1.00 0.00 O ATOM 0 H SER A 53 -1.634 9.340 -4.281 1.00 0.00 H new ATOM 0 HA SER A 53 -2.994 11.382 -2.709 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.689 13.205 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.733 12.273 -2.693 1.00 0.00 H new ATOM 0 HG SER A 53 -0.788 11.416 -5.390 1.00 0.00 H new ATOM 792 N GLY A 54 -4.494 11.615 -4.650 1.00 0.00 N ATOM 793 CA GLY A 54 -5.405 11.714 -5.775 1.00 0.00 C ATOM 794 C GLY A 54 -6.589 12.614 -5.485 1.00 0.00 C ATOM 795 O GLY A 54 -6.661 13.236 -4.425 1.00 0.00 O ATOM 0 H GLY A 54 -4.903 11.851 -3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.866 12.096 -6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.765 10.719 -6.036 1.00 0.00 H new ATOM 799 N VAL A 55 -7.521 12.686 -6.431 1.00 0.00 N ATOM 800 CA VAL A 55 -8.708 13.518 -6.272 1.00 0.00 C ATOM 801 C VAL A 55 -9.678 12.905 -5.268 1.00 0.00 C ATOM 802 O VAL A 55 -10.390 13.618 -4.560 1.00 0.00 O ATOM 803 CB VAL A 55 -9.435 13.720 -7.615 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.502 14.351 -8.637 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.985 12.398 -8.127 1.00 0.00 C ATOM 0 H VAL A 55 -7.477 12.178 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.370 14.486 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.273 14.398 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.033 14.486 -9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.162 15.319 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.642 13.700 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.495 12.560 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.165 11.694 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.689 11.991 -7.401 1.00 0.00 H new ATOM 815 N THR A 56 -9.702 11.577 -5.211 1.00 0.00 N ATOM 816 CA THR A 56 -10.585 10.867 -4.295 1.00 0.00 C ATOM 817 C THR A 56 -9.790 9.997 -3.329 1.00 0.00 C ATOM 818 O THR A 56 -8.891 9.260 -3.735 1.00 0.00 O ATOM 819 CB THR A 56 -11.591 9.982 -5.056 1.00 0.00 C ATOM 820 OG1 THR A 56 -12.090 10.682 -6.201 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.749 9.582 -4.155 1.00 0.00 C ATOM 0 H THR A 56 -9.119 10.971 -5.789 1.00 0.00 H new ATOM 0 HA THR A 56 -11.131 11.624 -3.733 1.00 0.00 H new ATOM 0 HB THR A 56 -11.075 9.078 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.727 10.113 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.446 8.958 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.368 9.024 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.264 10.477 -3.805 1.00 0.00 H new ATOM 829 N LYS A 57 -10.127 10.085 -2.046 1.00 0.00 N ATOM 830 CA LYS A 57 -9.446 9.304 -1.020 1.00 0.00 C ATOM 831 C LYS A 57 -9.114 7.906 -1.532 1.00 0.00 C ATOM 832 O LYS A 57 -7.950 7.508 -1.564 1.00 0.00 O ATOM 833 CB LYS A 57 -10.314 9.207 0.236 1.00 0.00 C ATOM 834 CG LYS A 57 -9.514 9.090 1.521 1.00 0.00 C ATOM 835 CD LYS A 57 -9.062 7.660 1.770 1.00 0.00 C ATOM 836 CE LYS A 57 -10.165 6.831 2.410 1.00 0.00 C ATOM 837 NZ LYS A 57 -9.615 5.757 3.282 1.00 0.00 N ATOM 0 H LYS A 57 -10.868 10.690 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.514 9.811 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.953 10.088 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.971 8.342 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.643 9.744 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.120 9.432 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.762 7.203 0.827 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.185 7.662 2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.813 7.481 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.783 6.385 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.371 5.383 3.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.235 4.990 2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.854 6.147 3.875 1.00 0.00 H new ATOM 851 N GLN A 58 -10.144 7.167 -1.931 1.00 0.00 N ATOM 852 CA GLN A 58 -9.960 5.813 -2.441 1.00 0.00 C ATOM 853 C GLN A 58 -8.779 5.751 -3.405 1.00 0.00 C ATOM 854 O GLN A 58 -7.908 4.892 -3.278 1.00 0.00 O ATOM 855 CB GLN A 58 -11.232 5.333 -3.142 1.00 0.00 C ATOM 856 CG GLN A 58 -11.257 3.834 -3.395 1.00 0.00 C ATOM 857 CD GLN A 58 -12.597 3.354 -3.918 1.00 0.00 C ATOM 858 OE1 GLN A 58 -13.527 3.112 -3.148 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.703 3.212 -5.234 1.00 0.00 N ATOM 0 H GLN A 58 -11.114 7.482 -1.911 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.750 5.158 -1.596 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.096 5.605 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -11.332 5.856 -4.093 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.478 3.577 -4.113 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.023 3.309 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.907 3.424 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.580 2.891 -5.643 1.00 0.00 H new ATOM 868 N GLU A 59 -8.759 6.667 -4.368 1.00 0.00 N ATOM 869 CA GLU A 59 -7.685 6.714 -5.354 1.00 0.00 C ATOM 870 C GLU A 59 -6.323 6.794 -4.671 1.00 0.00 C ATOM 871 O GLU A 59 -5.355 6.180 -5.119 1.00 0.00 O ATOM 872 CB GLU A 59 -7.872 7.912 -6.287 1.00 0.00 C ATOM 873 CG GLU A 59 -6.801 8.020 -7.360 1.00 0.00 C ATOM 874 CD GLU A 59 -7.207 8.936 -8.499 1.00 0.00 C ATOM 875 OE1 GLU A 59 -8.398 8.922 -8.875 1.00 0.00 O ATOM 876 OE2 GLU A 59 -6.335 9.665 -9.014 1.00 0.00 O ATOM 0 H GLU A 59 -9.473 7.386 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.724 5.796 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.848 7.840 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.874 8.827 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.879 8.390 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.587 7.027 -7.756 1.00 0.00 H new ATOM 883 N ALA A 60 -6.256 7.556 -3.585 1.00 0.00 N ATOM 884 CA ALA A 60 -5.014 7.717 -2.839 1.00 0.00 C ATOM 885 C ALA A 60 -4.583 6.400 -2.201 1.00 0.00 C ATOM 886 O ALA A 60 -3.545 5.839 -2.551 1.00 0.00 O ATOM 887 CB ALA A 60 -5.172 8.794 -1.776 1.00 0.00 C ATOM 0 H ALA A 60 -7.048 8.072 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.236 8.024 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.237 8.903 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.426 9.741 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.967 8.510 -1.086 1.00 0.00 H new ATOM 893 N LYS A 61 -5.387 5.912 -1.262 1.00 0.00 N ATOM 894 CA LYS A 61 -5.090 4.661 -0.575 1.00 0.00 C ATOM 895 C LYS A 61 -4.658 3.585 -1.566 1.00 0.00 C ATOM 896 O LYS A 61 -3.789 2.766 -1.267 1.00 0.00 O ATOM 897 CB LYS A 61 -6.313 4.184 0.212 1.00 0.00 C ATOM 898 CG LYS A 61 -6.006 3.070 1.197 1.00 0.00 C ATOM 899 CD LYS A 61 -7.050 2.996 2.299 1.00 0.00 C ATOM 900 CE LYS A 61 -8.314 2.298 1.823 1.00 0.00 C ATOM 901 NZ LYS A 61 -9.173 1.869 2.961 1.00 0.00 N ATOM 0 H LYS A 61 -6.250 6.364 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.268 4.843 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.738 5.029 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.073 3.839 -0.489 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.965 2.117 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.022 3.233 1.637 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.639 2.462 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.295 4.003 2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.878 2.970 1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.045 1.429 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.024 1.397 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.644 1.208 3.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.451 2.701 3.519 1.00 0.00 H new ATOM 915 N GLN A 62 -5.270 3.594 -2.746 1.00 0.00 N ATOM 916 CA GLN A 62 -4.948 2.618 -3.780 1.00 0.00 C ATOM 917 C GLN A 62 -3.483 2.726 -4.193 1.00 0.00 C ATOM 918 O GLN A 62 -2.732 1.753 -4.117 1.00 0.00 O ATOM 919 CB GLN A 62 -5.850 2.819 -4.999 1.00 0.00 C ATOM 920 CG GLN A 62 -7.287 2.380 -4.771 1.00 0.00 C ATOM 921 CD GLN A 62 -7.510 0.918 -5.104 1.00 0.00 C ATOM 922 OE1 GLN A 62 -7.847 0.115 -4.233 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.324 0.563 -6.370 1.00 0.00 N ATOM 0 H GLN A 62 -5.991 4.266 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.119 1.622 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.841 3.873 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.438 2.263 -5.841 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.556 2.557 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.951 2.993 -5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.045 1.261 -7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.460 -0.407 -6.653 1.00 0.00 H new ATOM 932 N LEU A 63 -3.084 3.915 -4.631 1.00 0.00 N ATOM 933 CA LEU A 63 -1.709 4.151 -5.057 1.00 0.00 C ATOM 934 C LEU A 63 -0.734 3.906 -3.909 1.00 0.00 C ATOM 935 O LEU A 63 0.276 3.223 -4.075 1.00 0.00 O ATOM 936 CB LEU A 63 -1.553 5.581 -5.577 1.00 0.00 C ATOM 937 CG LEU A 63 -2.542 6.012 -6.660 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.822 7.504 -6.563 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.011 5.656 -8.040 1.00 0.00 C ATOM 0 H LEU A 63 -3.693 4.730 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.479 3.452 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.647 6.265 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.543 5.696 -5.969 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.478 5.476 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.528 7.793 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.247 7.732 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.892 8.058 -6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.728 5.970 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.061 6.164 -8.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.862 4.578 -8.106 1.00 0.00 H new ATOM 951 N ALA A 64 -1.045 4.467 -2.745 1.00 0.00 N ATOM 952 CA ALA A 64 -0.199 4.306 -1.569 1.00 0.00 C ATOM 953 C ALA A 64 0.437 2.920 -1.536 1.00 0.00 C ATOM 954 O ALA A 64 1.638 2.784 -1.305 1.00 0.00 O ATOM 955 CB ALA A 64 -1.006 4.550 -0.302 1.00 0.00 C ATOM 0 H ALA A 64 -1.877 5.037 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 64 0.602 5.043 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.362 4.427 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.407 5.563 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.827 3.835 -0.250 1.00 0.00 H new ATOM 961 N ALA A 65 -0.377 1.895 -1.766 1.00 0.00 N ATOM 962 CA ALA A 65 0.107 0.520 -1.763 1.00 0.00 C ATOM 963 C ALA A 65 1.067 0.274 -2.922 1.00 0.00 C ATOM 964 O ALA A 65 2.133 -0.316 -2.745 1.00 0.00 O ATOM 965 CB ALA A 65 -1.063 -0.451 -1.829 1.00 0.00 C ATOM 0 H ALA A 65 -1.374 1.991 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 65 0.651 0.354 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.687 -1.474 -1.826 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.711 -0.300 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.630 -0.275 -2.743 1.00 0.00 H new ATOM 971 N LYS A 66 0.682 0.728 -4.110 1.00 0.00 N ATOM 972 CA LYS A 66 1.508 0.558 -5.299 1.00 0.00 C ATOM 973 C LYS A 66 2.985 0.741 -4.966 1.00 0.00 C ATOM 974 O LYS A 66 3.808 -0.127 -5.255 1.00 0.00 O ATOM 975 CB LYS A 66 1.091 1.556 -6.382 1.00 0.00 C ATOM 976 CG LYS A 66 1.550 1.168 -7.777 1.00 0.00 C ATOM 977 CD LYS A 66 0.873 2.013 -8.843 1.00 0.00 C ATOM 978 CE LYS A 66 1.754 2.170 -10.072 1.00 0.00 C ATOM 979 NZ LYS A 66 1.541 1.069 -11.052 1.00 0.00 N ATOM 0 H LYS A 66 -0.198 1.217 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 66 1.360 -0.456 -5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.005 1.650 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.496 2.537 -6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.631 1.285 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.331 0.115 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.072 1.552 -9.128 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.638 2.996 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.544 3.127 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.801 2.188 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.439 0.851 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.199 0.223 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.837 1.364 -11.758 1.00 0.00 H new ATOM 993 N GLU A 67 3.314 1.876 -4.356 1.00 0.00 N ATOM 994 CA GLU A 67 4.692 2.171 -3.984 1.00 0.00 C ATOM 995 C GLU A 67 5.153 1.266 -2.844 1.00 0.00 C ATOM 996 O GLU A 67 6.176 0.591 -2.949 1.00 0.00 O ATOM 997 CB GLU A 67 4.830 3.638 -3.572 1.00 0.00 C ATOM 998 CG GLU A 67 6.266 4.135 -3.562 1.00 0.00 C ATOM 999 CD GLU A 67 7.072 3.614 -4.736 1.00 0.00 C ATOM 1000 OE1 GLU A 67 7.680 2.531 -4.606 1.00 0.00 O ATOM 1001 OE2 GLU A 67 7.094 4.290 -5.786 1.00 0.00 O ATOM 0 H GLU A 67 2.645 2.605 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 67 5.324 1.984 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.246 4.255 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.402 3.769 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.269 5.225 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.746 3.829 -2.632 1.00 0.00 H new ATOM 1008 N ALA A 68 4.391 1.261 -1.756 1.00 0.00 N ATOM 1009 CA ALA A 68 4.720 0.439 -0.597 1.00 0.00 C ATOM 1010 C ALA A 68 5.200 -0.944 -1.023 1.00 0.00 C ATOM 1011 O ALA A 68 6.206 -1.445 -0.520 1.00 0.00 O ATOM 1012 CB ALA A 68 3.515 0.320 0.324 1.00 0.00 C ATOM 0 H ALA A 68 3.542 1.816 -1.652 1.00 0.00 H new ATOM 0 HA ALA A 68 5.531 0.926 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.774 -0.296 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.218 1.312 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.688 -0.141 -0.216 1.00 0.00 H new ATOM 1018 N TYR A 69 4.476 -1.556 -1.953 1.00 0.00 N ATOM 1019 CA TYR A 69 4.827 -2.883 -2.445 1.00 0.00 C ATOM 1020 C TYR A 69 6.317 -2.971 -2.759 1.00 0.00 C ATOM 1021 O TYR A 69 7.034 -3.797 -2.194 1.00 0.00 O ATOM 1022 CB TYR A 69 4.010 -3.220 -3.693 1.00 0.00 C ATOM 1023 CG TYR A 69 4.284 -4.603 -4.241 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.806 -5.735 -3.592 1.00 0.00 C ATOM 1025 CD2 TYR A 69 5.020 -4.777 -5.406 1.00 0.00 C ATOM 1026 CE1 TYR A 69 4.054 -7.001 -4.088 1.00 0.00 C ATOM 1027 CE2 TYR A 69 5.271 -6.039 -5.910 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.786 -7.147 -5.247 1.00 0.00 C ATOM 1029 OH TYR A 69 5.036 -8.405 -5.745 1.00 0.00 O ATOM 0 H TYR A 69 3.642 -1.154 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 69 4.596 -3.606 -1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.949 -3.136 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.224 -2.483 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.231 -5.624 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.403 -3.912 -5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.677 -7.871 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.844 -6.157 -6.818 1.00 0.00 H new ATOM 0 HH TYR A 69 5.564 -8.332 -6.568 1.00 0.00 H new ATOM 1039 N GLN A 70 6.776 -2.112 -3.664 1.00 0.00 N ATOM 1040 CA GLN A 70 8.181 -2.092 -4.054 1.00 0.00 C ATOM 1041 C GLN A 70 9.087 -2.116 -2.828 1.00 0.00 C ATOM 1042 O GLN A 70 10.022 -2.912 -2.748 1.00 0.00 O ATOM 1043 CB GLN A 70 8.479 -0.853 -4.900 1.00 0.00 C ATOM 1044 CG GLN A 70 7.981 -0.960 -6.332 1.00 0.00 C ATOM 1045 CD GLN A 70 8.670 0.017 -7.264 1.00 0.00 C ATOM 1046 OE1 GLN A 70 9.837 0.358 -7.072 1.00 0.00 O ATOM 1047 NE2 GLN A 70 7.949 0.473 -8.282 1.00 0.00 N ATOM 0 H GLN A 70 6.196 -1.421 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 70 8.380 -2.985 -4.647 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.021 0.017 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.555 -0.681 -4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.141 -1.976 -6.693 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.906 -0.780 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.985 0.163 -8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.360 1.133 -8.943 1.00 0.00 H new ATOM 1056 N LYS A 71 8.803 -1.237 -1.872 1.00 0.00 N ATOM 1057 CA LYS A 71 9.591 -1.156 -0.648 1.00 0.00 C ATOM 1058 C LYS A 71 9.728 -2.529 0.003 1.00 0.00 C ATOM 1059 O LYS A 71 10.838 -2.995 0.266 1.00 0.00 O ATOM 1060 CB LYS A 71 8.946 -0.176 0.335 1.00 0.00 C ATOM 1061 CG LYS A 71 9.656 -0.104 1.676 1.00 0.00 C ATOM 1062 CD LYS A 71 10.841 0.846 1.629 1.00 0.00 C ATOM 1063 CE LYS A 71 10.437 2.260 2.015 1.00 0.00 C ATOM 1064 NZ LYS A 71 10.010 3.058 0.832 1.00 0.00 N ATOM 0 H LYS A 71 8.032 -0.571 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 71 10.586 -0.796 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.931 0.818 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.908 -0.468 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.955 0.225 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.997 -1.099 1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.620 0.492 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.267 0.849 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.623 2.220 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.275 2.756 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.485 3.983 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.267 2.552 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.980 3.197 0.861 1.00 0.00 H new ATOM 1078 N LEU A 72 8.595 -3.173 0.259 1.00 0.00 N ATOM 1079 CA LEU A 72 8.588 -4.494 0.877 1.00 0.00 C ATOM 1080 C LEU A 72 9.554 -5.434 0.163 1.00 0.00 C ATOM 1081 O LEU A 72 10.316 -6.161 0.801 1.00 0.00 O ATOM 1082 CB LEU A 72 7.176 -5.081 0.856 1.00 0.00 C ATOM 1083 CG LEU A 72 6.301 -4.769 2.071 1.00 0.00 C ATOM 1084 CD1 LEU A 72 4.940 -5.433 1.933 1.00 0.00 C ATOM 1085 CD2 LEU A 72 6.988 -5.216 3.353 1.00 0.00 C ATOM 0 H LEU A 72 7.669 -2.802 0.048 1.00 0.00 H new ATOM 0 HA LEU A 72 8.914 -4.386 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.666 -4.718 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.256 -6.164 0.759 1.00 0.00 H new ATOM 0 HG LEU A 72 6.153 -3.690 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.331 -5.200 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.444 -5.063 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.068 -6.513 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.351 -4.986 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.168 -6.290 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.938 -4.692 3.458 1.00 0.00 H new ATOM 1097 N LEU A 73 9.517 -5.414 -1.165 1.00 0.00 N ATOM 1098 CA LEU A 73 10.390 -6.264 -1.967 1.00 0.00 C ATOM 1099 C LEU A 73 11.857 -5.977 -1.664 1.00 0.00 C ATOM 1100 O LEU A 73 12.713 -6.853 -1.796 1.00 0.00 O ATOM 1101 CB LEU A 73 10.114 -6.051 -3.457 1.00 0.00 C ATOM 1102 CG LEU A 73 8.665 -6.246 -3.905 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.522 -5.953 -5.391 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.195 -7.659 -3.590 1.00 0.00 C ATOM 0 H LEU A 73 8.892 -4.819 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 73 10.181 -7.302 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.423 -5.040 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.744 -6.736 -4.024 1.00 0.00 H new ATOM 0 HG LEU A 73 8.037 -5.545 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.484 -6.097 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.818 -4.923 -5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.161 -6.629 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.162 -7.780 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.827 -8.377 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.260 -7.833 -2.516 1.00 0.00 H new ATOM 1116 N LYS A 74 12.142 -4.745 -1.256 1.00 0.00 N ATOM 1117 CA LYS A 74 13.504 -4.341 -0.931 1.00 0.00 C ATOM 1118 C LYS A 74 13.913 -4.864 0.442 1.00 0.00 C ATOM 1119 O LYS A 74 14.956 -5.502 0.589 1.00 0.00 O ATOM 1120 CB LYS A 74 13.629 -2.817 -0.966 1.00 0.00 C ATOM 1121 CG LYS A 74 13.403 -2.219 -2.343 1.00 0.00 C ATOM 1122 CD LYS A 74 14.578 -2.489 -3.268 1.00 0.00 C ATOM 1123 CE LYS A 74 15.651 -1.420 -3.132 1.00 0.00 C ATOM 1124 NZ LYS A 74 16.565 -1.694 -1.989 1.00 0.00 N ATOM 0 H LYS A 74 11.446 -4.008 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 74 14.171 -4.771 -1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.910 -2.386 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.621 -2.534 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.494 -2.636 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.249 -1.144 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.005 -3.466 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.229 -2.527 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.229 -1.366 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.179 -0.447 -2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.524 -1.370 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.227 -1.188 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.583 -2.716 -1.796 1.00 0.00 H new