USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 808 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 84 THR OG1 : rot -3:sc= 0.581 USER MOD Set 1.2: A 85 LYS NZ :NH3+ -129:sc= 1.19 (180deg=0.374) USER MOD Set 2.1: A 51 THR OG1 : rot -172:sc= 0.868 USER MOD Set 2.2: A 53 THR OG1 : rot -53:sc= 0.501 USER MOD Set 3.1: A 20 HIS : no HE2:sc= 0.469 K(o=-4.5,f=-12!) USER MOD Set 3.2: A 31 ASN : amide:sc= -3.69! C(o=-4.5!,f=-9.2!) USER MOD Set 3.3: A 34 ASN : amide:sc= -1.23! K(o=-4.5!,f=-3.6) USER MOD Single : A 13 SER OG : rot 90:sc= -0.128 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= -2.87! (180deg=-3.66!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.717 K(o=-0.72,f=0) USER MOD Single : A 30 MET CE :methyl -176:sc= -4.67! (180deg=-4.85!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -168:sc=-0.000849 (180deg=-0.151) USER MOD Single : A 39 CYS SG : rot -16:sc= -1.46 USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= -0.0104 (180deg=-0.116) USER MOD Single : A 42 CYS SG : rot 139:sc= -2.98! USER MOD Single : A 43 LYS NZ :NH3+ 175:sc=-0.00298 (180deg=-0.0588) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 1.4 (180deg=1.23) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0315 (180deg=-0.291) USER MOD Single : A 63 LYS NZ :NH3+ 136:sc= -0.954 (180deg=-3.72!) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= -0.0734 (180deg=-0.44) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -4.02! K(o=-4!,f=-0.35) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0838 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00268) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -132:sc= -2.16! (180deg=-4.86!) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 1.1 (180deg=1.09) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 80:sc= -0.0932 USER MOD Single : A 101 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.14) USER MOD Single : A 106 LYS NZ :NH3+ -115:sc= 1.26 (180deg=0.395) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.294 0.364 1.886 1.00 0.00 N ATOM 78 CA ILE A 7 13.789 -1.019 1.924 1.00 0.00 C ATOM 79 C ILE A 7 13.324 -1.843 0.700 1.00 0.00 C ATOM 80 O ILE A 7 12.136 -1.887 0.377 1.00 0.00 O ATOM 81 CB ILE A 7 13.340 -1.729 3.235 1.00 0.00 C ATOM 82 CG1 ILE A 7 13.810 -3.197 3.256 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.821 -1.641 3.408 1.00 0.00 C ATOM 84 CD1 ILE A 7 13.386 -3.964 4.494 1.00 0.00 C ATOM 0 HA ILE A 7 14.877 -0.963 1.895 1.00 0.00 H new ATOM 0 HB ILE A 7 13.808 -1.214 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.419 -3.705 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.897 -3.221 3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.530 -2.144 4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.520 -0.594 3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.330 -2.122 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.755 -4.988 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.799 -3.482 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.298 -3.974 4.561 1.00 0.00 H new ATOM 96 N ALA A 8 14.274 -2.502 0.031 1.00 0.00 N ATOM 97 CA ALA A 8 13.980 -3.305 -1.168 1.00 0.00 C ATOM 98 C ALA A 8 12.896 -4.366 -0.908 1.00 0.00 C ATOM 99 O ALA A 8 12.167 -4.761 -1.822 1.00 0.00 O ATOM 100 CB ALA A 8 15.258 -3.966 -1.675 1.00 0.00 C ATOM 0 H ALA A 8 15.259 -2.497 0.298 1.00 0.00 H new ATOM 0 HA ALA A 8 13.590 -2.629 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.034 -4.559 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.990 -3.198 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.665 -4.614 -0.899 1.00 0.00 H new ATOM 106 N GLY A 9 12.795 -4.819 0.344 1.00 0.00 N ATOM 107 CA GLY A 9 11.763 -5.781 0.720 1.00 0.00 C ATOM 108 C GLY A 9 10.347 -5.261 0.485 1.00 0.00 C ATOM 109 O GLY A 9 9.421 -6.042 0.255 1.00 0.00 O ATOM 0 H GLY A 9 13.411 -4.537 1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.906 -6.699 0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.880 -6.037 1.773 1.00 0.00 H new ATOM 113 N LEU A 10 10.180 -3.939 0.557 1.00 0.00 N ATOM 114 CA LEU A 10 8.886 -3.299 0.296 1.00 0.00 C ATOM 115 C LEU A 10 8.567 -3.322 -1.207 1.00 0.00 C ATOM 116 O LEU A 10 7.410 -3.462 -1.611 1.00 0.00 O ATOM 117 CB LEU A 10 8.895 -1.851 0.814 1.00 0.00 C ATOM 118 CG LEU A 10 7.551 -1.110 0.720 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.497 -1.786 1.597 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.716 0.361 1.102 1.00 0.00 C ATOM 0 H LEU A 10 10.927 -3.287 0.795 1.00 0.00 H new ATOM 0 HA LEU A 10 8.112 -3.857 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.215 -1.857 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.642 -1.287 0.255 1.00 0.00 H new ATOM 0 HG LEU A 10 7.209 -1.155 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.554 -1.245 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.355 -2.815 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.829 -1.780 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.753 0.866 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.086 0.432 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.427 0.835 0.425 1.00 0.00 H new ATOM 132 N GLU A 11 9.606 -3.182 -2.028 1.00 0.00 N ATOM 133 CA GLU A 11 9.460 -3.278 -3.483 1.00 0.00 C ATOM 134 C GLU A 11 8.977 -4.678 -3.893 1.00 0.00 C ATOM 135 O GLU A 11 8.070 -4.819 -4.715 1.00 0.00 O ATOM 136 CB GLU A 11 10.796 -2.969 -4.173 1.00 0.00 C ATOM 137 CG GLU A 11 10.719 -2.994 -5.698 1.00 0.00 C ATOM 138 CD GLU A 11 12.086 -2.940 -6.361 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.722 -4.009 -6.500 1.00 0.00 O ATOM 140 OE2 GLU A 11 12.527 -1.840 -6.754 1.00 0.00 O ATOM 0 H GLU A 11 10.559 -3.002 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 11 8.716 -2.546 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.142 -1.987 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.541 -3.693 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.202 -3.900 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.121 -2.149 -6.040 1.00 0.00 H new ATOM 147 N GLU A 12 9.588 -5.712 -3.310 1.00 0.00 N ATOM 148 CA GLU A 12 9.219 -7.098 -3.623 1.00 0.00 C ATOM 149 C GLU A 12 7.792 -7.419 -3.160 1.00 0.00 C ATOM 150 O GLU A 12 7.014 -8.013 -3.906 1.00 0.00 O ATOM 151 CB GLU A 12 10.209 -8.089 -2.995 1.00 0.00 C ATOM 152 CG GLU A 12 9.898 -9.547 -3.339 1.00 0.00 C ATOM 153 CD GLU A 12 10.938 -10.525 -2.820 1.00 0.00 C ATOM 154 OE1 GLU A 12 12.099 -10.452 -3.278 1.00 0.00 O ATOM 155 OE2 GLU A 12 10.592 -11.392 -1.984 1.00 0.00 O ATOM 0 H GLU A 12 10.336 -5.619 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 12 9.259 -7.203 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.217 -7.849 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.198 -7.967 -1.912 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.924 -9.810 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.823 -9.649 -4.422 1.00 0.00 H new ATOM 162 N SER A 13 7.452 -7.025 -1.933 1.00 0.00 N ATOM 163 CA SER A 13 6.099 -7.246 -1.399 1.00 0.00 C ATOM 164 C SER A 13 5.044 -6.585 -2.296 1.00 0.00 C ATOM 165 O SER A 13 4.028 -7.197 -2.642 1.00 0.00 O ATOM 166 CB SER A 13 5.985 -6.706 0.031 1.00 0.00 C ATOM 167 OG SER A 13 6.255 -5.315 0.079 1.00 0.00 O ATOM 0 H SER A 13 8.087 -6.553 -1.289 1.00 0.00 H new ATOM 0 HA SER A 13 5.917 -8.321 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.983 -6.898 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.682 -7.237 0.679 1.00 0.00 H new ATOM 0 HG SER A 13 5.422 -4.815 -0.050 1.00 0.00 H new ATOM 173 N PHE A 14 5.300 -5.334 -2.680 1.00 0.00 N ATOM 174 CA PHE A 14 4.471 -4.639 -3.672 1.00 0.00 C ATOM 175 C PHE A 14 4.360 -5.467 -4.963 1.00 0.00 C ATOM 176 O PHE A 14 3.267 -5.687 -5.489 1.00 0.00 O ATOM 177 CB PHE A 14 5.068 -3.253 -3.984 1.00 0.00 C ATOM 178 CG PHE A 14 4.347 -2.505 -5.084 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.275 -1.674 -4.792 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.735 -2.642 -6.412 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.606 -1.000 -5.797 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.069 -1.968 -7.419 1.00 0.00 C ATOM 183 CZ PHE A 14 3.003 -1.146 -7.111 1.00 0.00 C ATOM 0 H PHE A 14 6.076 -4.778 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 14 3.472 -4.511 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.051 -2.649 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.114 -3.375 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.959 -1.552 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.568 -3.283 -6.660 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.772 -0.359 -5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.382 -2.084 -8.446 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.481 -0.619 -7.896 1.00 0.00 H new ATOM 193 N ARG A 15 5.507 -5.929 -5.452 1.00 0.00 N ATOM 194 CA ARG A 15 5.584 -6.717 -6.681 1.00 0.00 C ATOM 195 C ARG A 15 4.733 -7.998 -6.581 1.00 0.00 C ATOM 196 O ARG A 15 4.093 -8.411 -7.550 1.00 0.00 O ATOM 197 CB ARG A 15 7.055 -7.062 -6.947 1.00 0.00 C ATOM 198 CG ARG A 15 7.364 -7.479 -8.378 1.00 0.00 C ATOM 199 CD ARG A 15 8.857 -7.713 -8.572 1.00 0.00 C ATOM 200 NE ARG A 15 9.204 -7.900 -9.979 1.00 0.00 N ATOM 201 CZ ARG A 15 10.256 -8.542 -10.403 1.00 0.00 C ATOM 202 NH1 ARG A 15 11.062 -9.122 -9.572 1.00 0.00 N ATOM 203 NH2 ARG A 15 10.498 -8.602 -11.669 1.00 0.00 N ATOM 0 H ARG A 15 6.411 -5.768 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 15 5.184 -6.132 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.668 -6.196 -6.695 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.352 -7.868 -6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.816 -8.389 -8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.021 -6.707 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.412 -6.865 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.163 -8.591 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 15 8.579 -7.500 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.878 -9.080 -8.570 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.881 -9.621 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.868 -8.149 -12.331 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.319 -9.103 -12.008 1.00 0.00 H new ATOM 217 N LYS A 16 4.717 -8.607 -5.390 1.00 0.00 N ATOM 218 CA LYS A 16 3.918 -9.814 -5.134 1.00 0.00 C ATOM 219 C LYS A 16 2.415 -9.562 -5.351 1.00 0.00 C ATOM 220 O LYS A 16 1.739 -10.323 -6.045 1.00 0.00 O ATOM 221 CB LYS A 16 4.152 -10.309 -3.700 1.00 0.00 C ATOM 222 CG LYS A 16 5.586 -10.744 -3.409 1.00 0.00 C ATOM 223 CD LYS A 16 6.001 -11.949 -4.250 1.00 0.00 C ATOM 224 CE LYS A 16 7.430 -12.386 -3.946 1.00 0.00 C ATOM 225 NZ LYS A 16 7.820 -13.589 -4.725 1.00 0.00 N ATOM 0 H LYS A 16 5.251 -8.283 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 16 4.240 -10.575 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.878 -9.515 -3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.484 -11.148 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.264 -9.914 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.683 -10.990 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.319 -12.778 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.914 -11.701 -5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.115 -11.569 -4.173 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.526 -12.597 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.798 -13.853 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.182 -14.376 -4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.753 -13.381 -5.742 1.00 0.00 H new ATOM 239 N PHE A 17 1.893 -8.497 -4.744 1.00 0.00 N ATOM 240 CA PHE A 17 0.481 -8.129 -4.923 1.00 0.00 C ATOM 241 C PHE A 17 0.224 -7.540 -6.321 1.00 0.00 C ATOM 242 O PHE A 17 -0.910 -7.528 -6.800 1.00 0.00 O ATOM 243 CB PHE A 17 0.036 -7.127 -3.849 1.00 0.00 C ATOM 244 CG PHE A 17 -0.100 -7.716 -2.466 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.288 -8.316 -2.068 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.949 -7.655 -1.557 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.425 -8.844 -0.798 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.815 -8.179 -0.285 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.374 -8.773 0.095 1.00 0.00 C ATOM 0 H PHE A 17 2.418 -7.876 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.105 -9.043 -4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.755 -6.308 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.922 -6.698 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.115 -8.371 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.881 -7.192 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.353 -9.312 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.639 -8.124 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.481 -9.181 1.089 1.00 0.00 H new ATOM 259 N ALA A 18 1.281 -7.050 -6.966 1.00 0.00 N ATOM 260 CA ALA A 18 1.176 -6.478 -8.313 1.00 0.00 C ATOM 261 C ALA A 18 0.908 -7.559 -9.376 1.00 0.00 C ATOM 262 O ALA A 18 -0.060 -7.473 -10.136 1.00 0.00 O ATOM 263 CB ALA A 18 2.444 -5.702 -8.650 1.00 0.00 C ATOM 0 H ALA A 18 2.224 -7.036 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 18 0.325 -5.797 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.357 -5.281 -9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.580 -4.897 -7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.302 -6.373 -8.611 1.00 0.00 H new ATOM 269 N ILE A 19 1.765 -8.584 -9.416 1.00 0.00 N ATOM 270 CA ILE A 19 1.619 -9.688 -10.383 1.00 0.00 C ATOM 271 C ILE A 19 0.460 -10.627 -10.010 1.00 0.00 C ATOM 272 O ILE A 19 0.068 -11.494 -10.794 1.00 0.00 O ATOM 273 CB ILE A 19 2.920 -10.524 -10.495 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.237 -11.211 -9.153 1.00 0.00 C ATOM 275 CG2 ILE A 19 4.083 -9.640 -10.944 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.476 -12.080 -9.186 1.00 0.00 C ATOM 0 H ILE A 19 2.567 -8.677 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 19 1.405 -9.221 -11.344 1.00 0.00 H new ATOM 0 HB ILE A 19 2.772 -11.300 -11.246 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.361 -10.447 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.384 -11.823 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.989 -10.241 -11.018 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.855 -9.206 -11.917 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.235 -8.842 -10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.632 -12.528 -8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.348 -12.867 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.341 -11.471 -9.448 1.00 0.00 H new ATOM 288 N HIS A 20 -0.075 -10.451 -8.803 1.00 0.00 N ATOM 289 CA HIS A 20 -1.192 -11.268 -8.311 1.00 0.00 C ATOM 290 C HIS A 20 -2.428 -11.158 -9.228 1.00 0.00 C ATOM 291 O HIS A 20 -3.302 -10.313 -9.021 1.00 0.00 O ATOM 292 CB HIS A 20 -1.552 -10.846 -6.878 1.00 0.00 C ATOM 293 CG HIS A 20 -2.685 -11.622 -6.275 1.00 0.00 C ATOM 294 ND1 HIS A 20 -4.010 -11.283 -6.453 1.00 0.00 N ATOM 295 CD2 HIS A 20 -2.689 -12.721 -5.483 1.00 0.00 C ATOM 296 CE1 HIS A 20 -4.774 -12.135 -5.802 1.00 0.00 C ATOM 297 NE2 HIS A 20 -4.000 -13.016 -5.206 1.00 0.00 N ATOM 0 H HIS A 20 0.247 -9.745 -8.141 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.874 -12.311 -8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.671 -10.960 -6.246 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.811 -9.787 -6.877 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.346 -10.493 -7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.822 -13.263 -5.135 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.853 -12.114 -5.764 1.00 0.00 H new ATOM 306 N GLY A 21 -2.482 -12.015 -10.244 1.00 0.00 N ATOM 307 CA GLY A 21 -3.590 -12.002 -11.194 1.00 0.00 C ATOM 308 C GLY A 21 -3.132 -12.055 -12.651 1.00 0.00 C ATOM 309 O GLY A 21 -3.793 -12.667 -13.495 1.00 0.00 O ATOM 0 H GLY A 21 -1.774 -12.725 -10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.242 -12.852 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.183 -11.101 -11.039 1.00 0.00 H new ATOM 313 N ASP A 22 -1.993 -11.429 -12.950 1.00 0.00 N ATOM 314 CA ASP A 22 -1.485 -11.362 -14.325 1.00 0.00 C ATOM 315 C ASP A 22 0.017 -11.716 -14.387 1.00 0.00 C ATOM 316 O ASP A 22 0.857 -10.987 -13.856 1.00 0.00 O ATOM 317 CB ASP A 22 -1.717 -9.960 -14.902 1.00 0.00 C ATOM 318 CG ASP A 22 -1.517 -9.920 -16.406 1.00 0.00 C ATOM 319 OD1 ASP A 22 -0.360 -9.843 -16.863 1.00 0.00 O ATOM 320 OD2 ASP A 22 -2.519 -9.984 -17.145 1.00 0.00 O ATOM 0 H ASP A 22 -1.404 -10.961 -12.261 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.029 -12.094 -14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.729 -9.633 -14.663 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.034 -9.256 -14.427 1.00 0.00 H new ATOM 325 N PRO A 23 0.376 -12.837 -15.048 1.00 0.00 N ATOM 326 CA PRO A 23 1.780 -13.280 -15.158 1.00 0.00 C ATOM 327 C PRO A 23 2.572 -12.549 -16.259 1.00 0.00 C ATOM 328 O PRO A 23 3.756 -12.817 -16.466 1.00 0.00 O ATOM 329 CB PRO A 23 1.629 -14.768 -15.494 1.00 0.00 C ATOM 330 CG PRO A 23 0.364 -14.841 -16.285 1.00 0.00 C ATOM 331 CD PRO A 23 -0.550 -13.771 -15.727 1.00 0.00 C ATOM 0 HA PRO A 23 2.346 -13.073 -14.250 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.479 -15.134 -16.069 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.569 -15.376 -14.591 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.558 -14.673 -17.344 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.093 -15.827 -16.197 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.113 -13.273 -16.517 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.278 -14.189 -15.032 1.00 0.00 H new ATOM 339 N LYS A 24 1.916 -11.628 -16.963 1.00 0.00 N ATOM 340 CA LYS A 24 2.562 -10.870 -18.044 1.00 0.00 C ATOM 341 C LYS A 24 3.122 -9.532 -17.533 1.00 0.00 C ATOM 342 O LYS A 24 3.953 -8.898 -18.191 1.00 0.00 O ATOM 343 CB LYS A 24 1.560 -10.632 -19.185 1.00 0.00 C ATOM 344 CG LYS A 24 1.029 -11.923 -19.807 1.00 0.00 C ATOM 345 CD LYS A 24 -0.084 -11.676 -20.831 1.00 0.00 C ATOM 346 CE LYS A 24 -1.428 -11.344 -20.180 1.00 0.00 C ATOM 347 NZ LYS A 24 -1.440 -10.014 -19.511 1.00 0.00 N ATOM 0 H LYS A 24 0.938 -11.385 -16.808 1.00 0.00 H new ATOM 0 HA LYS A 24 3.400 -11.457 -18.419 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.721 -10.049 -18.806 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.039 -10.034 -19.960 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.850 -12.452 -20.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.652 -12.573 -19.017 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.208 -10.857 -21.488 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.198 -12.561 -21.457 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.209 -11.369 -20.940 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.671 -12.114 -19.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.344 -9.537 -19.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.325 -10.140 -18.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.659 -9.434 -19.878 1.00 0.00 H new ATOM 361 N ALA A 25 2.660 -9.110 -16.358 1.00 0.00 N ATOM 362 CA ALA A 25 3.138 -7.878 -15.728 1.00 0.00 C ATOM 363 C ALA A 25 4.452 -8.111 -14.967 1.00 0.00 C ATOM 364 O ALA A 25 4.609 -9.114 -14.271 1.00 0.00 O ATOM 365 CB ALA A 25 2.072 -7.333 -14.784 1.00 0.00 C ATOM 0 H ALA A 25 1.950 -9.606 -15.819 1.00 0.00 H new ATOM 0 HA ALA A 25 3.334 -7.148 -16.514 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.433 -6.416 -14.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.163 -7.121 -15.346 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.857 -8.072 -14.012 1.00 0.00 H new ATOM 371 N SER A 26 5.391 -7.174 -15.098 1.00 0.00 N ATOM 372 CA SER A 26 6.686 -7.270 -14.403 1.00 0.00 C ATOM 373 C SER A 26 6.524 -7.094 -12.886 1.00 0.00 C ATOM 374 O SER A 26 7.373 -7.529 -12.107 1.00 0.00 O ATOM 375 CB SER A 26 7.667 -6.219 -14.942 1.00 0.00 C ATOM 376 OG SER A 26 7.864 -6.366 -16.342 1.00 0.00 O ATOM 0 H SER A 26 5.285 -6.340 -15.676 1.00 0.00 H new ATOM 0 HA SER A 26 7.085 -8.266 -14.593 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.286 -5.220 -14.729 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.623 -6.312 -14.426 1.00 0.00 H new ATOM 0 HG SER A 26 8.492 -5.683 -16.658 1.00 0.00 H new ATOM 382 N GLY A 27 5.431 -6.444 -12.476 1.00 0.00 N ATOM 383 CA GLY A 27 5.139 -6.272 -11.054 1.00 0.00 C ATOM 384 C GLY A 27 5.322 -4.841 -10.545 1.00 0.00 C ATOM 385 O GLY A 27 5.525 -4.628 -9.352 1.00 0.00 O ATOM 0 H GLY A 27 4.741 -6.032 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.112 -6.584 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.785 -6.936 -10.479 1.00 0.00 H new ATOM 389 N GLN A 28 5.241 -3.858 -11.439 1.00 0.00 N ATOM 390 CA GLN A 28 5.380 -2.445 -11.048 1.00 0.00 C ATOM 391 C GLN A 28 4.022 -1.721 -11.029 1.00 0.00 C ATOM 392 O GLN A 28 3.959 -0.509 -10.823 1.00 0.00 O ATOM 393 CB GLN A 28 6.346 -1.728 -12.002 1.00 0.00 C ATOM 394 CG GLN A 28 7.753 -2.319 -12.004 1.00 0.00 C ATOM 395 CD GLN A 28 8.723 -1.572 -12.911 1.00 0.00 C ATOM 396 OE1 GLN A 28 9.918 -1.513 -12.644 1.00 0.00 O ATOM 397 NE2 GLN A 28 8.226 -1.009 -13.994 1.00 0.00 N ATOM 0 H GLN A 28 5.081 -4.006 -12.435 1.00 0.00 H new ATOM 0 HA GLN A 28 5.782 -2.419 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.942 -1.769 -13.014 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.403 -0.675 -11.724 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.142 -2.314 -10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.701 -3.361 -12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.227 -1.075 -14.190 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.840 -0.508 -14.636 1.00 0.00 H new ATOM 406 N GLU A 29 2.941 -2.476 -11.231 1.00 0.00 N ATOM 407 CA GLU A 29 1.580 -1.912 -11.271 1.00 0.00 C ATOM 408 C GLU A 29 0.625 -2.710 -10.365 1.00 0.00 C ATOM 409 O GLU A 29 0.569 -3.938 -10.440 1.00 0.00 O ATOM 410 CB GLU A 29 1.048 -1.920 -12.714 1.00 0.00 C ATOM 411 CG GLU A 29 1.898 -1.117 -13.695 1.00 0.00 C ATOM 412 CD GLU A 29 1.382 -1.200 -15.124 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.640 -2.223 -15.793 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.721 -0.242 -15.584 1.00 0.00 O ATOM 0 H GLU A 29 2.977 -3.486 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 29 1.628 -0.886 -10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.987 -2.951 -13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.033 -1.522 -12.718 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.920 -0.073 -13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.925 -1.481 -13.662 1.00 0.00 H new ATOM 421 N MET A 30 -0.130 -2.014 -9.516 1.00 0.00 N ATOM 422 CA MET A 30 -1.064 -2.670 -8.591 1.00 0.00 C ATOM 423 C MET A 30 -2.493 -2.116 -8.726 1.00 0.00 C ATOM 424 O MET A 30 -2.701 -0.903 -8.773 1.00 0.00 O ATOM 425 CB MET A 30 -0.576 -2.501 -7.146 1.00 0.00 C ATOM 426 CG MET A 30 -1.476 -3.167 -6.113 1.00 0.00 C ATOM 427 SD MET A 30 -0.846 -3.017 -4.432 1.00 0.00 S ATOM 428 CE MET A 30 0.736 -3.840 -4.590 1.00 0.00 C ATOM 0 H MET A 30 -0.116 -0.996 -9.447 1.00 0.00 H new ATOM 0 HA MET A 30 -1.093 -3.728 -8.850 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.429 -2.915 -7.060 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.503 -1.437 -6.919 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.470 -2.722 -6.164 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.586 -4.223 -6.361 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.218 -3.892 -3.614 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.585 -4.849 -4.975 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.370 -3.281 -5.278 1.00 0.00 H new ATOM 438 N ASN A 31 -3.474 -3.019 -8.784 1.00 0.00 N ATOM 439 CA ASN A 31 -4.889 -2.629 -8.882 1.00 0.00 C ATOM 440 C ASN A 31 -5.536 -2.489 -7.492 1.00 0.00 C ATOM 441 O ASN A 31 -4.973 -2.921 -6.483 1.00 0.00 O ATOM 442 CB ASN A 31 -5.663 -3.660 -9.714 1.00 0.00 C ATOM 443 CG ASN A 31 -5.619 -5.045 -9.101 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.422 -5.379 -8.243 1.00 0.00 O ATOM 445 ND2 ASN A 31 -4.690 -5.866 -9.538 1.00 0.00 N ATOM 0 H ASN A 31 -3.318 -4.027 -8.765 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.932 -1.657 -9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.701 -3.341 -9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.247 -3.697 -10.721 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.626 -6.811 -9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.034 -5.558 -10.255 1.00 0.00 H new ATOM 452 N GLY A 32 -6.738 -1.910 -7.458 1.00 0.00 N ATOM 453 CA GLY A 32 -7.451 -1.701 -6.199 1.00 0.00 C ATOM 454 C GLY A 32 -7.879 -2.993 -5.504 1.00 0.00 C ATOM 455 O GLY A 32 -7.988 -3.035 -4.278 1.00 0.00 O ATOM 0 H GLY A 32 -7.235 -1.579 -8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.814 -1.131 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.336 -1.094 -6.391 1.00 0.00 H new ATOM 459 N LYS A 33 -8.118 -4.048 -6.282 1.00 0.00 N ATOM 460 CA LYS A 33 -8.527 -5.345 -5.727 1.00 0.00 C ATOM 461 C LYS A 33 -7.389 -5.989 -4.910 1.00 0.00 C ATOM 462 O LYS A 33 -7.596 -6.430 -3.776 1.00 0.00 O ATOM 463 CB LYS A 33 -8.977 -6.281 -6.860 1.00 0.00 C ATOM 464 CG LYS A 33 -9.395 -7.678 -6.400 1.00 0.00 C ATOM 465 CD LYS A 33 -9.946 -8.518 -7.556 1.00 0.00 C ATOM 466 CE LYS A 33 -11.205 -7.900 -8.165 1.00 0.00 C ATOM 467 NZ LYS A 33 -11.762 -8.730 -9.267 1.00 0.00 N ATOM 0 H LYS A 33 -8.036 -4.034 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.365 -5.179 -5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.814 -5.820 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.164 -6.377 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.538 -8.186 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.152 -7.592 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.182 -8.618 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.172 -9.523 -7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.960 -7.777 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.972 -6.905 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.614 -8.273 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.053 -8.827 -10.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.009 -9.672 -8.901 1.00 0.00 H new ATOM 481 N ASN A 34 -6.187 -6.035 -5.485 1.00 0.00 N ATOM 482 CA ASN A 34 -5.012 -6.543 -4.766 1.00 0.00 C ATOM 483 C ASN A 34 -4.606 -5.590 -3.631 1.00 0.00 C ATOM 484 O ASN A 34 -4.152 -6.026 -2.575 1.00 0.00 O ATOM 485 CB ASN A 34 -3.834 -6.757 -5.726 1.00 0.00 C ATOM 486 CG ASN A 34 -4.116 -7.827 -6.767 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.940 -8.712 -6.565 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.408 -7.780 -7.877 1.00 0.00 N ATOM 0 H ASN A 34 -5.999 -5.730 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.281 -7.504 -4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.605 -5.818 -6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.950 -7.036 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.538 -8.492 -8.596 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.729 -7.032 -8.018 1.00 0.00 H new ATOM 495 N TRP A 35 -4.775 -4.288 -3.864 1.00 0.00 N ATOM 496 CA TRP A 35 -4.542 -3.263 -2.834 1.00 0.00 C ATOM 497 C TRP A 35 -5.434 -3.499 -1.597 1.00 0.00 C ATOM 498 O TRP A 35 -4.964 -3.441 -0.455 1.00 0.00 O ATOM 499 CB TRP A 35 -4.802 -1.873 -3.442 1.00 0.00 C ATOM 500 CG TRP A 35 -4.920 -0.752 -2.444 1.00 0.00 C ATOM 501 CD1 TRP A 35 -6.045 -0.027 -2.164 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.884 -0.220 -1.608 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.771 0.920 -1.208 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.453 0.820 -0.849 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.531 -0.527 -1.423 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.718 1.557 0.074 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.803 0.207 -0.507 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.398 1.235 0.235 1.00 0.00 C ATOM 0 H TRP A 35 -5.075 -3.911 -4.763 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.507 -3.324 -2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.993 -1.639 -4.134 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.720 -1.916 -4.028 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.009 -0.177 -2.627 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.440 1.589 -0.827 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.065 -1.323 -1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.173 2.354 0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.756 -0.016 -0.360 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.803 1.785 0.949 1.00 0.00 H new ATOM 519 N ALA A 36 -6.716 -3.780 -1.835 1.00 0.00 N ATOM 520 CA ALA A 36 -7.661 -4.103 -0.757 1.00 0.00 C ATOM 521 C ALA A 36 -7.224 -5.357 0.020 1.00 0.00 C ATOM 522 O ALA A 36 -7.385 -5.441 1.242 1.00 0.00 O ATOM 523 CB ALA A 36 -9.057 -4.302 -1.331 1.00 0.00 C ATOM 0 H ALA A 36 -7.128 -3.791 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.673 -3.266 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.751 -4.541 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.380 -3.387 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.041 -5.120 -2.051 1.00 0.00 H new ATOM 529 N LYS A 37 -6.690 -6.341 -0.704 1.00 0.00 N ATOM 530 CA LYS A 37 -6.153 -7.548 -0.090 1.00 0.00 C ATOM 531 C LYS A 37 -4.851 -7.258 0.667 1.00 0.00 C ATOM 532 O LYS A 37 -4.597 -7.843 1.713 1.00 0.00 O ATOM 533 CB LYS A 37 -5.919 -8.611 -1.167 1.00 0.00 C ATOM 534 CG LYS A 37 -7.202 -9.103 -1.829 1.00 0.00 C ATOM 535 CD LYS A 37 -6.917 -10.074 -2.972 1.00 0.00 C ATOM 536 CE LYS A 37 -8.202 -10.622 -3.582 1.00 0.00 C ATOM 537 NZ LYS A 37 -8.965 -11.466 -2.621 1.00 0.00 N ATOM 0 H LYS A 37 -6.619 -6.322 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.879 -7.919 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.259 -8.202 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.402 -9.460 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.830 -9.593 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.765 -8.250 -2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.336 -9.568 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.308 -10.900 -2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.828 -9.793 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.960 -11.210 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.715 -11.978 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.322 -12.149 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.392 -10.861 -1.891 1.00 0.00 H new ATOM 551 N LEU A 38 -4.046 -6.344 0.134 1.00 0.00 N ATOM 552 CA LEU A 38 -2.777 -5.953 0.759 1.00 0.00 C ATOM 553 C LEU A 38 -3.019 -5.392 2.166 1.00 0.00 C ATOM 554 O LEU A 38 -2.442 -5.865 3.148 1.00 0.00 O ATOM 555 CB LEU A 38 -2.060 -4.917 -0.132 1.00 0.00 C ATOM 556 CG LEU A 38 -0.574 -4.632 0.192 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.101 -3.928 -0.983 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.420 -3.789 1.460 1.00 0.00 C ATOM 0 H LEU A 38 -4.249 -5.854 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.141 -6.832 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.124 -5.255 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.608 -3.977 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.089 -5.593 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.146 -3.734 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.046 -4.562 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.406 -2.984 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.638 -3.611 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.930 -2.835 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.858 -4.320 2.305 1.00 0.00 H new ATOM 570 N CYS A 39 -3.887 -4.385 2.259 1.00 0.00 N ATOM 571 CA CYS A 39 -4.216 -3.765 3.548 1.00 0.00 C ATOM 572 C CYS A 39 -4.830 -4.781 4.526 1.00 0.00 C ATOM 573 O CYS A 39 -4.459 -4.828 5.702 1.00 0.00 O ATOM 574 CB CYS A 39 -5.181 -2.589 3.348 1.00 0.00 C ATOM 575 SG CYS A 39 -6.732 -3.039 2.541 1.00 0.00 S ATOM 0 H CYS A 39 -4.376 -3.980 1.461 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.285 -3.398 3.980 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.404 -2.146 4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.684 -1.822 2.754 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.608 -4.207 1.983 1.00 0.00 H new ATOM 581 N LYS A 40 -5.761 -5.602 4.037 1.00 0.00 N ATOM 582 CA LYS A 40 -6.436 -6.589 4.889 1.00 0.00 C ATOM 583 C LYS A 40 -5.468 -7.693 5.350 1.00 0.00 C ATOM 584 O LYS A 40 -5.531 -8.152 6.491 1.00 0.00 O ATOM 585 CB LYS A 40 -7.626 -7.208 4.142 1.00 0.00 C ATOM 586 CG LYS A 40 -8.534 -8.057 5.026 1.00 0.00 C ATOM 587 CD LYS A 40 -9.131 -7.242 6.173 1.00 0.00 C ATOM 588 CE LYS A 40 -10.103 -8.068 7.007 1.00 0.00 C ATOM 589 NZ LYS A 40 -9.450 -9.263 7.608 1.00 0.00 N ATOM 0 H LYS A 40 -6.065 -5.606 3.063 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.799 -6.070 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.216 -6.409 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.250 -7.825 3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.338 -8.479 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.967 -8.895 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.329 -6.871 6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.647 -6.371 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.519 -7.446 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.936 -8.387 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.094 -9.700 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.226 -9.950 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.573 -8.975 8.087 1.00 0.00 H new ATOM 603 N ASP A 41 -4.570 -8.103 4.456 1.00 0.00 N ATOM 604 CA ASP A 41 -3.569 -9.131 4.758 1.00 0.00 C ATOM 605 C ASP A 41 -2.552 -8.630 5.798 1.00 0.00 C ATOM 606 O ASP A 41 -2.281 -9.305 6.794 1.00 0.00 O ATOM 607 CB ASP A 41 -2.855 -9.544 3.466 1.00 0.00 C ATOM 608 CG ASP A 41 -1.753 -10.561 3.697 1.00 0.00 C ATOM 609 OD1 ASP A 41 -2.066 -11.763 3.852 1.00 0.00 O ATOM 610 OD2 ASP A 41 -0.573 -10.163 3.731 1.00 0.00 O ATOM 0 H ASP A 41 -4.514 -7.736 3.506 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.077 -9.996 5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.585 -9.959 2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.431 -8.658 2.993 1.00 0.00 H new ATOM 615 N CYS A 42 -1.997 -7.443 5.557 1.00 0.00 N ATOM 616 CA CYS A 42 -1.041 -6.829 6.490 1.00 0.00 C ATOM 617 C CYS A 42 -1.761 -6.142 7.665 1.00 0.00 C ATOM 618 O CYS A 42 -1.126 -5.523 8.524 1.00 0.00 O ATOM 619 CB CYS A 42 -0.155 -5.825 5.744 1.00 0.00 C ATOM 620 SG CYS A 42 0.774 -6.549 4.370 1.00 0.00 S ATOM 0 H CYS A 42 -2.190 -6.884 4.726 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.416 -7.620 6.905 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.780 -5.017 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.546 -5.379 6.449 1.00 0.00 H new ATOM 0 HG CYS A 42 0.761 -5.732 3.359 1.00 0.00 H new ATOM 626 N LYS A 43 -3.095 -6.232 7.673 1.00 0.00 N ATOM 627 CA LYS A 43 -3.924 -5.770 8.799 1.00 0.00 C ATOM 628 C LYS A 43 -3.915 -4.241 8.935 1.00 0.00 C ATOM 629 O LYS A 43 -4.242 -3.698 9.990 1.00 0.00 O ATOM 630 CB LYS A 43 -3.480 -6.440 10.113 1.00 0.00 C ATOM 631 CG LYS A 43 -3.554 -7.967 10.070 1.00 0.00 C ATOM 632 CD LYS A 43 -4.970 -8.456 9.768 1.00 0.00 C ATOM 633 CE LYS A 43 -5.028 -9.969 9.587 1.00 0.00 C ATOM 634 NZ LYS A 43 -4.590 -10.701 10.804 1.00 0.00 N ATOM 0 H LYS A 43 -3.633 -6.626 6.901 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.951 -6.066 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.457 -6.139 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.106 -6.076 10.928 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.869 -8.343 9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.224 -8.374 11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.635 -8.163 10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.336 -7.969 8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.047 -10.264 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.397 -10.256 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.727 -11.722 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.584 -10.508 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.153 -10.386 11.620 1.00 0.00 H new ATOM 648 N VAL A 44 -3.555 -3.551 7.852 1.00 0.00 N ATOM 649 CA VAL A 44 -3.602 -2.089 7.811 1.00 0.00 C ATOM 650 C VAL A 44 -5.060 -1.595 7.801 1.00 0.00 C ATOM 651 O VAL A 44 -5.356 -0.487 8.250 1.00 0.00 O ATOM 652 CB VAL A 44 -2.847 -1.532 6.575 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.797 -0.004 6.605 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.437 -2.120 6.499 1.00 0.00 C ATOM 0 H VAL A 44 -3.226 -3.983 6.988 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.106 -1.719 8.708 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.393 -1.831 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.262 0.360 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.812 0.393 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.281 0.326 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.922 -1.719 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.884 -1.856 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.499 -3.205 6.416 1.00 0.00 H new ATOM 664 N ALA A 45 -5.969 -2.430 7.284 1.00 0.00 N ATOM 665 CA ALA A 45 -7.405 -2.145 7.362 1.00 0.00 C ATOM 666 C ALA A 45 -7.889 -2.286 8.810 1.00 0.00 C ATOM 667 O ALA A 45 -8.488 -3.292 9.197 1.00 0.00 O ATOM 668 CB ALA A 45 -8.190 -3.055 6.425 1.00 0.00 C ATOM 0 H ALA A 45 -5.737 -3.303 6.810 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.578 -1.118 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.253 -2.825 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.856 -2.896 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.023 -4.095 6.704 1.00 0.00 H new ATOM 674 N ASP A 46 -7.595 -1.257 9.593 1.00 0.00 N ATOM 675 CA ASP A 46 -7.752 -1.265 11.048 1.00 0.00 C ATOM 676 C ASP A 46 -9.172 -1.633 11.523 1.00 0.00 C ATOM 677 O ASP A 46 -9.345 -2.185 12.613 1.00 0.00 O ATOM 678 CB ASP A 46 -7.358 0.118 11.569 1.00 0.00 C ATOM 679 CG ASP A 46 -7.360 0.206 13.077 1.00 0.00 C ATOM 680 OD1 ASP A 46 -6.603 -0.545 13.722 1.00 0.00 O ATOM 681 OD2 ASP A 46 -8.114 1.030 13.621 1.00 0.00 O ATOM 0 H ASP A 46 -7.233 -0.374 9.231 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.105 -2.045 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.365 0.370 11.198 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.047 0.861 11.167 1.00 0.00 H new ATOM 686 N GLY A 47 -10.185 -1.307 10.723 1.00 0.00 N ATOM 687 CA GLY A 47 -11.573 -1.565 11.112 1.00 0.00 C ATOM 688 C GLY A 47 -12.115 -0.556 12.128 1.00 0.00 C ATOM 689 O GLY A 47 -13.288 -0.180 12.084 1.00 0.00 O ATOM 0 H GLY A 47 -10.075 -0.868 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.202 -1.547 10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.645 -2.568 11.533 1.00 0.00 H new ATOM 693 N LYS A 48 -11.257 -0.122 13.047 1.00 0.00 N ATOM 694 CA LYS A 48 -11.632 0.847 14.083 1.00 0.00 C ATOM 695 C LYS A 48 -11.556 2.278 13.521 1.00 0.00 C ATOM 696 O LYS A 48 -12.460 3.090 13.721 1.00 0.00 O ATOM 697 CB LYS A 48 -10.685 0.699 15.286 1.00 0.00 C ATOM 698 CG LYS A 48 -10.266 -0.749 15.558 1.00 0.00 C ATOM 699 CD LYS A 48 -9.061 -0.836 16.493 1.00 0.00 C ATOM 700 CE LYS A 48 -8.408 -2.214 16.444 1.00 0.00 C ATOM 701 NZ LYS A 48 -7.897 -2.538 15.081 1.00 0.00 N ATOM 0 H LYS A 48 -10.285 -0.428 13.098 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.656 0.655 14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.793 1.301 15.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.173 1.101 16.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.104 -1.291 15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.027 -1.240 14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.330 -0.077 16.216 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.376 -0.618 17.514 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.586 -2.252 17.159 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.131 -2.970 16.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.343 -3.418 15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.699 -2.660 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.292 -1.762 14.744 1.00 0.00 H new ATOM 715 N SER A 49 -10.451 2.576 12.835 1.00 0.00 N ATOM 716 CA SER A 49 -10.279 3.865 12.140 1.00 0.00 C ATOM 717 C SER A 49 -10.353 3.698 10.612 1.00 0.00 C ATOM 718 O SER A 49 -11.085 4.418 9.932 1.00 0.00 O ATOM 719 CB SER A 49 -8.935 4.513 12.518 1.00 0.00 C ATOM 720 OG SER A 49 -8.880 4.858 13.896 1.00 0.00 O ATOM 0 H SER A 49 -9.656 1.944 12.742 1.00 0.00 H new ATOM 0 HA SER A 49 -11.096 4.513 12.458 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.122 3.826 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.781 5.407 11.914 1.00 0.00 H new ATOM 0 HG SER A 49 -8.011 5.265 14.097 1.00 0.00 H new ATOM 726 N VAL A 50 -9.583 2.749 10.073 1.00 0.00 N ATOM 727 CA VAL A 50 -9.533 2.514 8.619 1.00 0.00 C ATOM 728 C VAL A 50 -10.524 1.419 8.183 1.00 0.00 C ATOM 729 O VAL A 50 -10.331 0.242 8.487 1.00 0.00 O ATOM 730 CB VAL A 50 -8.107 2.101 8.161 1.00 0.00 C ATOM 731 CG1 VAL A 50 -8.043 1.960 6.640 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.059 3.096 8.657 1.00 0.00 C ATOM 0 H VAL A 50 -8.984 2.129 10.618 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.810 3.457 8.148 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.883 1.130 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.035 1.670 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.750 1.197 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.298 2.912 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.071 2.781 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.280 4.086 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.078 3.132 9.746 1.00 0.00 H new ATOM 742 N THR A 51 -11.578 1.807 7.471 1.00 0.00 N ATOM 743 CA THR A 51 -12.563 0.843 6.951 1.00 0.00 C ATOM 744 C THR A 51 -12.264 0.463 5.490 1.00 0.00 C ATOM 745 O THR A 51 -11.370 1.032 4.863 1.00 0.00 O ATOM 746 CB THR A 51 -14.002 1.408 7.034 1.00 0.00 C ATOM 747 OG1 THR A 51 -14.104 2.613 6.259 1.00 0.00 O ATOM 748 CG2 THR A 51 -14.398 1.697 8.480 1.00 0.00 C ATOM 0 H THR A 51 -11.778 2.779 7.237 1.00 0.00 H new ATOM 0 HA THR A 51 -12.486 -0.047 7.576 1.00 0.00 H new ATOM 0 HB THR A 51 -14.681 0.656 6.633 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.976 3.031 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.413 2.093 8.507 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.352 0.776 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.712 2.429 8.906 1.00 0.00 H new ATOM 756 N GLY A 52 -13.018 -0.500 4.952 1.00 0.00 N ATOM 757 CA GLY A 52 -12.850 -0.899 3.553 1.00 0.00 C ATOM 758 C GLY A 52 -13.049 0.267 2.586 1.00 0.00 C ATOM 759 O GLY A 52 -12.277 0.451 1.636 1.00 0.00 O ATOM 0 H GLY A 52 -13.742 -1.012 5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.852 -1.316 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.562 -1.690 3.316 1.00 0.00 H new ATOM 763 N THR A 53 -14.090 1.058 2.836 1.00 0.00 N ATOM 764 CA THR A 53 -14.311 2.301 2.089 1.00 0.00 C ATOM 765 C THR A 53 -13.053 3.148 2.090 1.00 0.00 C ATOM 766 O THR A 53 -12.579 3.591 1.044 1.00 0.00 O ATOM 767 CB THR A 53 -15.431 3.166 2.705 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.033 3.657 3.996 1.00 0.00 O ATOM 769 CG2 THR A 53 -16.703 2.374 2.853 1.00 0.00 C ATOM 0 H THR A 53 -14.794 0.864 3.548 1.00 0.00 H new ATOM 0 HA THR A 53 -14.593 2.000 1.080 1.00 0.00 H new ATOM 0 HB THR A 53 -15.609 4.005 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.744 2.907 4.557 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.476 3.006 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 53 -17.030 2.024 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.525 1.518 3.503 1.00 0.00 H new ATOM 777 N ASP A 54 -12.511 3.350 3.286 1.00 0.00 N ATOM 778 CA ASP A 54 -11.347 4.196 3.469 1.00 0.00 C ATOM 779 C ASP A 54 -10.177 3.724 2.588 1.00 0.00 C ATOM 780 O ASP A 54 -9.438 4.533 2.019 1.00 0.00 O ATOM 781 CB ASP A 54 -10.938 4.229 4.954 1.00 0.00 C ATOM 782 CG ASP A 54 -11.090 5.606 5.580 1.00 0.00 C ATOM 783 OD1 ASP A 54 -12.100 6.286 5.304 1.00 0.00 O ATOM 784 OD2 ASP A 54 -10.212 6.004 6.373 1.00 0.00 O ATOM 0 H ASP A 54 -12.866 2.934 4.147 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.607 5.208 3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.546 3.514 5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.901 3.906 5.047 1.00 0.00 H new ATOM 789 N VAL A 55 -10.031 2.403 2.471 1.00 0.00 N ATOM 790 CA VAL A 55 -9.017 1.800 1.600 1.00 0.00 C ATOM 791 C VAL A 55 -9.212 2.235 0.135 1.00 0.00 C ATOM 792 O VAL A 55 -8.241 2.524 -0.573 1.00 0.00 O ATOM 793 CB VAL A 55 -9.046 0.252 1.689 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.985 -0.373 0.785 1.00 0.00 C ATOM 795 CG2 VAL A 55 -8.867 -0.211 3.136 1.00 0.00 C ATOM 0 H VAL A 55 -10.606 1.725 2.972 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.046 2.153 1.948 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.022 -0.085 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.030 -1.459 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.170 -0.081 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.998 -0.026 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.891 -1.300 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.910 0.145 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.673 0.192 3.749 1.00 0.00 H new ATOM 805 N ASP A 56 -10.472 2.294 -0.313 1.00 0.00 N ATOM 806 CA ASP A 56 -10.788 2.782 -1.661 1.00 0.00 C ATOM 807 C ASP A 56 -10.494 4.287 -1.781 1.00 0.00 C ATOM 808 O ASP A 56 -10.013 4.761 -2.817 1.00 0.00 O ATOM 809 CB ASP A 56 -12.258 2.506 -2.012 1.00 0.00 C ATOM 810 CG ASP A 56 -12.519 1.045 -2.340 1.00 0.00 C ATOM 811 OD1 ASP A 56 -12.763 0.245 -1.415 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.487 0.684 -3.536 1.00 0.00 O ATOM 0 H ASP A 56 -11.285 2.012 0.234 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.154 2.245 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.889 2.804 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.546 3.122 -2.864 1.00 0.00 H new ATOM 817 N ILE A 57 -10.776 5.030 -0.712 1.00 0.00 N ATOM 818 CA ILE A 57 -10.550 6.480 -0.692 1.00 0.00 C ATOM 819 C ILE A 57 -9.058 6.811 -0.857 1.00 0.00 C ATOM 820 O ILE A 57 -8.688 7.673 -1.656 1.00 0.00 O ATOM 821 CB ILE A 57 -11.073 7.124 0.617 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.500 6.630 0.922 1.00 0.00 C ATOM 823 CG2 ILE A 57 -11.029 8.650 0.523 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.215 7.406 2.014 1.00 0.00 C ATOM 0 H ILE A 57 -11.162 4.654 0.154 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.106 6.895 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.424 6.821 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.092 6.683 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.453 5.580 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.400 9.083 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.002 8.975 0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.653 8.982 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.212 6.991 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.649 7.332 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.298 8.453 1.722 1.00 0.00 H new ATOM 836 N VAL A 58 -8.205 6.115 -0.105 1.00 0.00 N ATOM 837 CA VAL A 58 -6.751 6.293 -0.216 1.00 0.00 C ATOM 838 C VAL A 58 -6.260 5.967 -1.640 1.00 0.00 C ATOM 839 O VAL A 58 -5.446 6.695 -2.213 1.00 0.00 O ATOM 840 CB VAL A 58 -5.999 5.409 0.813 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.484 5.579 0.686 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.463 5.727 2.235 1.00 0.00 C ATOM 0 H VAL A 58 -8.492 5.423 0.587 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.535 7.340 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.236 4.367 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.984 4.947 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.168 5.290 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.219 6.621 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.924 5.097 2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.263 6.775 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.533 5.536 2.320 1.00 0.00 H new ATOM 852 N PHE A 59 -6.789 4.884 -2.214 1.00 0.00 N ATOM 853 CA PHE A 59 -6.460 4.494 -3.592 1.00 0.00 C ATOM 854 C PHE A 59 -6.904 5.581 -4.596 1.00 0.00 C ATOM 855 O PHE A 59 -6.383 5.671 -5.712 1.00 0.00 O ATOM 856 CB PHE A 59 -7.120 3.145 -3.932 1.00 0.00 C ATOM 857 CG PHE A 59 -6.689 2.559 -5.257 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.473 1.898 -5.376 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.499 2.662 -6.380 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.076 1.357 -6.585 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.103 2.124 -7.591 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.892 1.471 -7.693 1.00 0.00 C ATOM 0 H PHE A 59 -7.447 4.260 -1.748 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.378 4.387 -3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.890 2.432 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.202 3.275 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.830 1.806 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.450 3.169 -6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.128 0.845 -6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.742 2.215 -8.457 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.583 1.050 -8.638 1.00 0.00 H new ATOM 872 N SER A 60 -7.878 6.395 -4.196 1.00 0.00 N ATOM 873 CA SER A 60 -8.330 7.524 -5.020 1.00 0.00 C ATOM 874 C SER A 60 -7.484 8.782 -4.755 1.00 0.00 C ATOM 875 O SER A 60 -7.214 9.564 -5.666 1.00 0.00 O ATOM 876 CB SER A 60 -9.812 7.827 -4.762 1.00 0.00 C ATOM 877 OG SER A 60 -10.301 8.804 -5.668 1.00 0.00 O ATOM 0 H SER A 60 -8.372 6.298 -3.309 1.00 0.00 H new ATOM 0 HA SER A 60 -8.204 7.239 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.396 6.912 -4.860 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.941 8.179 -3.739 1.00 0.00 H new ATOM 0 HG SER A 60 -11.248 8.977 -5.483 1.00 0.00 H new ATOM 883 N LYS A 61 -7.056 8.957 -3.503 1.00 0.00 N ATOM 884 CA LYS A 61 -6.229 10.107 -3.110 1.00 0.00 C ATOM 885 C LYS A 61 -4.891 10.144 -3.869 1.00 0.00 C ATOM 886 O LYS A 61 -4.456 11.201 -4.330 1.00 0.00 O ATOM 887 CB LYS A 61 -5.947 10.072 -1.599 1.00 0.00 C ATOM 888 CG LYS A 61 -7.153 10.374 -0.712 1.00 0.00 C ATOM 889 CD LYS A 61 -7.694 11.784 -0.945 1.00 0.00 C ATOM 890 CE LYS A 61 -8.715 12.186 0.116 1.00 0.00 C ATOM 891 NZ LYS A 61 -8.098 12.301 1.466 1.00 0.00 N ATOM 0 H LYS A 61 -7.268 8.316 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.792 11.004 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.561 9.086 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.160 10.792 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.940 9.646 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.871 10.262 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.868 12.495 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.155 11.837 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.168 13.139 -0.158 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.517 11.449 0.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.722 12.856 2.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.964 11.351 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.176 12.776 1.387 1.00 0.00 H new ATOM 905 N VAL A 62 -4.235 8.990 -3.973 1.00 0.00 N ATOM 906 CA VAL A 62 -2.921 8.900 -4.629 1.00 0.00 C ATOM 907 C VAL A 62 -3.030 8.885 -6.165 1.00 0.00 C ATOM 908 O VAL A 62 -2.079 9.239 -6.866 1.00 0.00 O ATOM 909 CB VAL A 62 -2.150 7.640 -4.165 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.951 7.665 -2.651 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.873 6.364 -4.602 1.00 0.00 C ATOM 0 H VAL A 62 -4.587 8.102 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.374 9.795 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.169 7.644 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.408 6.773 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.381 8.552 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.922 7.689 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.311 5.493 -4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.871 6.344 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.952 6.345 -5.689 1.00 0.00 H new ATOM 921 N LYS A 63 -4.192 8.491 -6.677 1.00 0.00 N ATOM 922 CA LYS A 63 -4.397 8.342 -8.124 1.00 0.00 C ATOM 923 C LYS A 63 -4.514 9.706 -8.828 1.00 0.00 C ATOM 924 O LYS A 63 -4.974 10.687 -8.237 1.00 0.00 O ATOM 925 CB LYS A 63 -5.670 7.518 -8.389 1.00 0.00 C ATOM 926 CG LYS A 63 -5.859 7.125 -9.854 1.00 0.00 C ATOM 927 CD LYS A 63 -7.261 6.592 -10.159 1.00 0.00 C ATOM 928 CE LYS A 63 -7.650 5.392 -9.297 1.00 0.00 C ATOM 929 NZ LYS A 63 -8.074 5.787 -7.923 1.00 0.00 N ATOM 0 H LYS A 63 -5.012 8.267 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.526 7.826 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.639 6.614 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.537 8.092 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.662 7.992 -10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.123 6.365 -10.118 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.987 7.391 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.314 6.308 -11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.461 4.849 -9.782 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.804 4.708 -9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.928 5.256 -7.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.310 5.575 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.280 6.806 -7.903 1.00 0.00 H new ATOM 943 N GLY A 64 -4.092 9.759 -10.092 1.00 0.00 N ATOM 944 CA GLY A 64 -4.274 10.964 -10.895 1.00 0.00 C ATOM 945 C GLY A 64 -5.742 11.202 -11.254 1.00 0.00 C ATOM 946 O GLY A 64 -6.507 11.738 -10.450 1.00 0.00 O ATOM 0 H GLY A 64 -3.627 8.990 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.891 11.825 -10.347 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.687 10.881 -11.810 1.00 0.00 H new ATOM 950 N LYS A 65 -6.138 10.811 -12.467 1.00 0.00 N ATOM 951 CA LYS A 65 -7.546 10.872 -12.889 1.00 0.00 C ATOM 952 C LYS A 65 -7.922 9.655 -13.750 1.00 0.00 C ATOM 953 O LYS A 65 -8.748 8.833 -13.353 1.00 0.00 O ATOM 954 CB LYS A 65 -7.838 12.179 -13.651 1.00 0.00 C ATOM 955 CG LYS A 65 -7.728 13.433 -12.783 1.00 0.00 C ATOM 956 CD LYS A 65 -8.223 14.684 -13.502 1.00 0.00 C ATOM 957 CE LYS A 65 -8.129 15.916 -12.605 1.00 0.00 C ATOM 958 NZ LYS A 65 -8.827 15.718 -11.303 1.00 0.00 N ATOM 0 H LYS A 65 -5.504 10.447 -13.179 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.160 10.854 -11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.144 12.265 -14.487 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.842 12.127 -14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.305 13.291 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.689 13.575 -12.485 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.634 14.844 -14.405 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.256 14.539 -13.817 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.081 16.151 -12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.562 16.773 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.976 16.640 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.747 15.261 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.246 15.115 -10.686 1.00 0.00 H new ATOM 972 N SER A 66 -7.311 9.535 -14.924 1.00 0.00 N ATOM 973 CA SER A 66 -7.561 8.389 -15.807 1.00 0.00 C ATOM 974 C SER A 66 -6.541 7.271 -15.552 1.00 0.00 C ATOM 975 O SER A 66 -5.457 7.258 -16.139 1.00 0.00 O ATOM 976 CB SER A 66 -7.512 8.817 -17.280 1.00 0.00 C ATOM 977 OG SER A 66 -7.774 7.721 -18.143 1.00 0.00 O ATOM 0 H SER A 66 -6.641 10.211 -15.290 1.00 0.00 H new ATOM 0 HA SER A 66 -8.558 8.008 -15.586 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.244 9.605 -17.457 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.532 9.236 -17.507 1.00 0.00 H new ATOM 0 HG SER A 66 -7.738 8.022 -19.075 1.00 0.00 H new ATOM 983 N ALA A 67 -6.884 6.350 -14.652 1.00 0.00 N ATOM 984 CA ALA A 67 -5.989 5.243 -14.298 1.00 0.00 C ATOM 985 C ALA A 67 -6.744 4.078 -13.635 1.00 0.00 C ATOM 986 O ALA A 67 -7.724 4.280 -12.908 1.00 0.00 O ATOM 987 CB ALA A 67 -4.878 5.738 -13.378 1.00 0.00 C ATOM 0 H ALA A 67 -7.774 6.346 -14.154 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.554 4.867 -15.224 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.220 4.907 -13.122 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.303 6.513 -13.886 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.315 6.148 -12.468 1.00 0.00 H new ATOM 993 N ARG A 68 -6.277 2.856 -13.889 1.00 0.00 N ATOM 994 CA ARG A 68 -6.860 1.651 -13.286 1.00 0.00 C ATOM 995 C ARG A 68 -5.960 1.116 -12.162 1.00 0.00 C ATOM 996 O ARG A 68 -6.437 0.634 -11.131 1.00 0.00 O ATOM 997 CB ARG A 68 -7.054 0.558 -14.349 1.00 0.00 C ATOM 998 CG ARG A 68 -7.804 1.022 -15.596 1.00 0.00 C ATOM 999 CD ARG A 68 -8.024 -0.122 -16.587 1.00 0.00 C ATOM 1000 NE ARG A 68 -6.788 -0.846 -16.885 1.00 0.00 N ATOM 1001 CZ ARG A 68 -6.190 -0.849 -18.046 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -6.661 -0.158 -19.037 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -5.114 -1.549 -18.214 1.00 0.00 N ATOM 0 H ARG A 68 -5.491 2.671 -14.512 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.829 1.921 -12.867 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.076 0.179 -14.647 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.596 -0.275 -13.902 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.767 1.441 -15.305 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.243 1.820 -16.082 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.759 -0.816 -16.180 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.440 0.277 -17.512 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.363 -1.387 -16.132 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.508 0.397 -18.915 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.184 -0.169 -19.939 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.736 -2.096 -17.441 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.645 -1.553 -19.120 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.650 1.207 -12.384 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.643 0.722 -11.434 1.00 0.00 C ATOM 1019 C VAL A 69 -2.649 1.837 -11.058 1.00 0.00 C ATOM 1020 O VAL A 69 -2.496 2.817 -11.795 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.852 -0.477 -12.025 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.785 -1.649 -12.329 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.081 -0.059 -13.279 1.00 0.00 C ATOM 0 H VAL A 69 -4.253 1.619 -13.228 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.177 0.400 -10.540 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.130 -0.803 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.208 -2.476 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.275 -1.972 -11.410 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.539 -1.336 -13.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.536 -0.916 -13.673 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.780 0.304 -14.032 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.377 0.734 -13.026 1.00 0.00 H new ATOM 1033 N ILE A 70 -1.981 1.680 -9.913 1.00 0.00 N ATOM 1034 CA ILE A 70 -0.959 2.639 -9.459 1.00 0.00 C ATOM 1035 C ILE A 70 0.419 1.963 -9.335 1.00 0.00 C ATOM 1036 O ILE A 70 0.508 0.738 -9.235 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.342 3.275 -8.093 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.453 2.198 -6.996 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.649 4.061 -8.217 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.718 2.761 -5.612 1.00 0.00 C ATOM 0 H ILE A 70 -2.127 0.896 -9.277 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.907 3.426 -10.211 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.551 3.967 -7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.255 1.507 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.529 1.620 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.903 4.500 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.528 4.854 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.448 3.390 -8.532 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.784 1.944 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.904 3.429 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.657 3.315 -5.618 1.00 0.00 H new ATOM 1052 N ASN A 71 1.491 2.759 -9.343 1.00 0.00 N ATOM 1053 CA ASN A 71 2.859 2.214 -9.233 1.00 0.00 C ATOM 1054 C ASN A 71 3.466 2.412 -7.826 1.00 0.00 C ATOM 1055 O ASN A 71 2.855 3.034 -6.956 1.00 0.00 O ATOM 1056 CB ASN A 71 3.771 2.823 -10.310 1.00 0.00 C ATOM 1057 CG ASN A 71 3.713 4.343 -10.401 1.00 0.00 C ATOM 1058 OD1 ASN A 71 3.911 4.910 -11.469 1.00 0.00 O ATOM 1059 ND2 ASN A 71 3.441 5.022 -9.302 1.00 0.00 N ATOM 0 H ASN A 71 1.446 3.775 -9.423 1.00 0.00 H new ATOM 0 HA ASN A 71 2.787 1.139 -9.396 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.799 2.523 -10.110 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.499 2.403 -11.278 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.392 6.040 -9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.280 4.528 -8.424 1.00 0.00 H new ATOM 1066 N TYR A 72 4.687 1.904 -7.634 1.00 0.00 N ATOM 1067 CA TYR A 72 5.364 1.907 -6.321 1.00 0.00 C ATOM 1068 C TYR A 72 5.441 3.314 -5.690 1.00 0.00 C ATOM 1069 O TYR A 72 5.255 3.469 -4.480 1.00 0.00 O ATOM 1070 CB TYR A 72 6.777 1.317 -6.467 1.00 0.00 C ATOM 1071 CG TYR A 72 7.574 1.265 -5.172 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.404 0.218 -4.268 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.499 2.259 -4.856 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.131 0.165 -3.093 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.226 2.209 -3.682 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.039 1.161 -2.806 1.00 0.00 C ATOM 1077 OH TYR A 72 9.765 1.110 -1.637 1.00 0.00 O ATOM 0 H TYR A 72 5.238 1.478 -8.379 1.00 0.00 H new ATOM 0 HA TYR A 72 4.767 1.292 -5.648 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.696 0.308 -6.870 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.331 1.908 -7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.693 -0.564 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.650 3.081 -5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.988 -0.654 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.938 2.988 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 72 10.361 1.887 -1.588 1.00 0.00 H new ATOM 1087 N GLU A 73 5.720 4.331 -6.502 1.00 0.00 N ATOM 1088 CA GLU A 73 5.785 5.714 -6.010 1.00 0.00 C ATOM 1089 C GLU A 73 4.471 6.123 -5.315 1.00 0.00 C ATOM 1090 O GLU A 73 4.471 6.612 -4.182 1.00 0.00 O ATOM 1091 CB GLU A 73 6.077 6.675 -7.168 1.00 0.00 C ATOM 1092 CG GLU A 73 6.262 8.120 -6.727 1.00 0.00 C ATOM 1093 CD GLU A 73 6.388 9.079 -7.898 1.00 0.00 C ATOM 1094 OE1 GLU A 73 7.510 9.250 -8.417 1.00 0.00 O ATOM 1095 OE2 GLU A 73 5.359 9.662 -8.308 1.00 0.00 O ATOM 0 H GLU A 73 5.905 4.229 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 73 6.592 5.770 -5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.977 6.344 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.259 6.625 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.416 8.418 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.154 8.194 -6.104 1.00 0.00 H new ATOM 1102 N GLU A 74 3.356 5.907 -6.010 1.00 0.00 N ATOM 1103 CA GLU A 74 2.021 6.191 -5.469 1.00 0.00 C ATOM 1104 C GLU A 74 1.710 5.289 -4.262 1.00 0.00 C ATOM 1105 O GLU A 74 1.023 5.700 -3.325 1.00 0.00 O ATOM 1106 CB GLU A 74 0.969 6.000 -6.573 1.00 0.00 C ATOM 1107 CG GLU A 74 1.217 6.882 -7.794 1.00 0.00 C ATOM 1108 CD GLU A 74 0.295 6.568 -8.963 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.637 5.681 -9.776 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.760 7.221 -9.087 1.00 0.00 O ATOM 0 H GLU A 74 3.348 5.533 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 74 1.995 7.224 -5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.961 4.955 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.019 6.220 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.089 7.927 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.252 6.763 -8.115 1.00 0.00 H new ATOM 1117 N PHE A 75 2.236 4.065 -4.292 1.00 0.00 N ATOM 1118 CA PHE A 75 2.120 3.134 -3.163 1.00 0.00 C ATOM 1119 C PHE A 75 2.740 3.733 -1.887 1.00 0.00 C ATOM 1120 O PHE A 75 2.162 3.642 -0.804 1.00 0.00 O ATOM 1121 CB PHE A 75 2.799 1.807 -3.525 1.00 0.00 C ATOM 1122 CG PHE A 75 2.797 0.773 -2.426 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.607 0.235 -1.958 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.990 0.324 -1.874 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.607 -0.725 -0.965 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.995 -0.633 -0.880 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.802 -1.161 -0.424 1.00 0.00 C ATOM 0 H PHE A 75 2.750 3.691 -5.089 1.00 0.00 H new ATOM 0 HA PHE A 75 1.064 2.953 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.302 1.388 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.831 2.010 -3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.669 0.571 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.926 0.729 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.673 -1.135 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.931 -0.969 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.803 -1.912 0.352 1.00 0.00 H new ATOM 1137 N LYS A 76 3.917 4.349 -2.029 1.00 0.00 N ATOM 1138 CA LYS A 76 4.551 5.087 -0.925 1.00 0.00 C ATOM 1139 C LYS A 76 3.602 6.154 -0.357 1.00 0.00 C ATOM 1140 O LYS A 76 3.399 6.247 0.853 1.00 0.00 O ATOM 1141 CB LYS A 76 5.836 5.773 -1.413 1.00 0.00 C ATOM 1142 CG LYS A 76 6.979 4.819 -1.744 1.00 0.00 C ATOM 1143 CD LYS A 76 8.120 5.532 -2.474 1.00 0.00 C ATOM 1144 CE LYS A 76 8.575 6.795 -1.745 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.093 6.510 -0.383 1.00 0.00 N ATOM 0 H LYS A 76 4.453 4.353 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 76 4.789 4.369 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.603 6.362 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.173 6.471 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.358 4.373 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.605 4.004 -2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.964 4.850 -2.577 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.797 5.793 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.352 7.288 -2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.739 7.491 -1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.404 7.397 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.341 6.079 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.898 5.854 -0.448 1.00 0.00 H new ATOM 1159 N LYS A 77 3.029 6.953 -1.251 1.00 0.00 N ATOM 1160 CA LYS A 77 2.097 8.020 -0.873 1.00 0.00 C ATOM 1161 C LYS A 77 0.856 7.449 -0.166 1.00 0.00 C ATOM 1162 O LYS A 77 0.311 8.061 0.752 1.00 0.00 O ATOM 1163 CB LYS A 77 1.696 8.807 -2.128 1.00 0.00 C ATOM 1164 CG LYS A 77 0.896 10.079 -1.856 1.00 0.00 C ATOM 1165 CD LYS A 77 0.662 10.876 -3.142 1.00 0.00 C ATOM 1166 CE LYS A 77 1.979 11.284 -3.803 1.00 0.00 C ATOM 1167 NZ LYS A 77 1.772 11.944 -5.123 1.00 0.00 N ATOM 0 H LYS A 77 3.194 6.883 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 77 2.591 8.690 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.599 9.073 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.109 8.156 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.063 9.819 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.428 10.698 -1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.075 10.278 -3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.077 11.767 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.519 11.962 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.605 10.401 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.693 12.202 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.280 11.290 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.198 12.802 -4.996 1.00 0.00 H new ATOM 1181 N ALA A 78 0.423 6.267 -0.596 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.694 5.571 0.044 1.00 0.00 C ATOM 1183 C ALA A 78 -0.329 5.109 1.464 1.00 0.00 C ATOM 1184 O ALA A 78 -1.119 5.247 2.399 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.126 4.387 -0.808 1.00 0.00 C ATOM 0 H ALA A 78 0.829 5.768 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.525 6.271 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.958 3.875 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.440 4.741 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.291 3.696 -0.921 1.00 0.00 H new ATOM 1191 N LEU A 79 0.877 4.558 1.619 1.00 0.00 N ATOM 1192 CA LEU A 79 1.368 4.128 2.935 1.00 0.00 C ATOM 1193 C LEU A 79 1.545 5.326 3.877 1.00 0.00 C ATOM 1194 O LEU A 79 1.315 5.219 5.076 1.00 0.00 O ATOM 1195 CB LEU A 79 2.700 3.373 2.803 1.00 0.00 C ATOM 1196 CG LEU A 79 2.644 2.065 1.998 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.010 1.383 1.994 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.567 1.130 2.549 1.00 0.00 C ATOM 0 H LEU A 79 1.532 4.398 0.853 1.00 0.00 H new ATOM 0 HA LEU A 79 0.621 3.457 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.428 4.036 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.070 3.148 3.803 1.00 0.00 H new ATOM 0 HG LEU A 79 2.379 2.307 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.953 0.458 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.747 2.047 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.307 1.157 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.548 0.212 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.790 0.891 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.595 1.619 2.489 1.00 0.00 H new ATOM 1210 N GLU A 80 1.959 6.461 3.320 1.00 0.00 N ATOM 1211 CA GLU A 80 2.098 7.707 4.085 1.00 0.00 C ATOM 1212 C GLU A 80 0.744 8.117 4.689 1.00 0.00 C ATOM 1213 O GLU A 80 0.636 8.389 5.890 1.00 0.00 O ATOM 1214 CB GLU A 80 2.661 8.811 3.168 1.00 0.00 C ATOM 1215 CG GLU A 80 2.983 10.142 3.858 1.00 0.00 C ATOM 1216 CD GLU A 80 1.771 11.048 4.039 1.00 0.00 C ATOM 1217 OE1 GLU A 80 1.143 11.418 3.022 1.00 0.00 O ATOM 1218 OE2 GLU A 80 1.449 11.405 5.193 1.00 0.00 O ATOM 0 H GLU A 80 2.207 6.548 2.334 1.00 0.00 H new ATOM 0 HA GLU A 80 2.794 7.554 4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.569 8.438 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.941 9.000 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.422 9.938 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.737 10.671 3.274 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.290 8.136 3.847 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.658 8.412 4.296 1.00 0.00 C ATOM 1227 C GLU A 81 -2.099 7.412 5.384 1.00 0.00 C ATOM 1228 O GLU A 81 -2.468 7.801 6.494 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.623 8.339 3.101 1.00 0.00 C ATOM 1230 CG GLU A 81 -4.076 8.664 3.444 1.00 0.00 C ATOM 1231 CD GLU A 81 -4.296 10.133 3.778 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -3.996 10.544 4.918 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -4.765 10.888 2.901 1.00 0.00 O ATOM 0 H GLU A 81 -0.207 7.963 2.845 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.680 9.414 4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.281 9.030 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.578 7.337 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.712 8.390 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.388 8.054 4.292 1.00 0.00 H new ATOM 1240 N LEU A 82 -2.040 6.118 5.061 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.460 5.061 5.992 1.00 0.00 C ATOM 1242 C LEU A 82 -1.642 5.069 7.294 1.00 0.00 C ATOM 1243 O LEU A 82 -2.174 4.781 8.364 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.357 3.687 5.318 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.358 3.440 4.177 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.124 2.073 3.545 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.796 3.561 4.682 1.00 0.00 C ATOM 0 H LEU A 82 -1.705 5.774 4.161 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.498 5.262 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.347 3.567 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.498 2.917 6.076 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.200 4.202 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.842 1.917 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.112 2.026 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.251 1.297 4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.487 3.383 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.969 2.825 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.958 4.562 5.081 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.357 5.398 7.203 1.00 0.00 N ATOM 1260 CA ALA A 83 0.508 5.474 8.387 1.00 0.00 C ATOM 1261 C ALA A 83 0.044 6.581 9.337 1.00 0.00 C ATOM 1262 O ALA A 83 -0.108 6.365 10.539 1.00 0.00 O ATOM 1263 CB ALA A 83 1.959 5.709 7.978 1.00 0.00 C ATOM 0 H ALA A 83 0.113 5.617 6.325 1.00 0.00 H new ATOM 0 HA ALA A 83 0.440 4.521 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.584 5.762 8.869 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.297 4.887 7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.034 6.646 7.426 1.00 0.00 H new ATOM 1269 N THR A 84 -0.205 7.761 8.775 1.00 0.00 N ATOM 1270 CA THR A 84 -0.646 8.925 9.557 1.00 0.00 C ATOM 1271 C THR A 84 -2.119 8.810 9.989 1.00 0.00 C ATOM 1272 O THR A 84 -2.611 9.626 10.775 1.00 0.00 O ATOM 1273 CB THR A 84 -0.448 10.238 8.761 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.155 10.174 7.511 1.00 0.00 O ATOM 1275 CG2 THR A 84 1.033 10.496 8.496 1.00 0.00 C ATOM 0 H THR A 84 -0.110 7.942 7.776 1.00 0.00 H new ATOM 0 HA THR A 84 -0.026 8.947 10.454 1.00 0.00 H new ATOM 0 HB THR A 84 -0.845 11.058 9.360 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.565 9.290 7.412 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.146 11.424 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.563 10.578 9.445 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.449 9.670 7.918 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.825 7.812 9.455 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.204 7.511 9.885 1.00 0.00 C ATOM 1285 C LYS A 85 -4.258 6.303 10.842 1.00 0.00 C ATOM 1286 O LYS A 85 -5.152 6.212 11.687 1.00 0.00 O ATOM 1287 CB LYS A 85 -5.101 7.253 8.663 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.283 8.475 7.766 1.00 0.00 C ATOM 1289 CD LYS A 85 -5.983 9.620 8.501 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.115 10.861 7.627 1.00 0.00 C ATOM 1291 NZ LYS A 85 -4.792 11.405 7.235 1.00 0.00 N ATOM 0 H LYS A 85 -2.471 7.195 8.724 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.572 8.382 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.673 6.442 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.079 6.916 9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.310 8.813 7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.865 8.197 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.973 9.294 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.423 9.869 9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.686 10.615 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.677 11.625 8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.757 12.422 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.044 10.913 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.646 11.262 6.215 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.302 5.384 10.709 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.227 4.202 11.580 1.00 0.00 C ATOM 1307 C ARG A 86 -2.516 4.544 12.890 1.00 0.00 C ATOM 1308 O ARG A 86 -3.027 4.302 13.988 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.464 3.066 10.883 1.00 0.00 C ATOM 1310 CG ARG A 86 -2.574 1.718 11.597 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.991 1.157 11.513 1.00 0.00 C ATOM 1312 NE ARG A 86 -4.169 -0.061 12.303 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.783 -1.248 11.926 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -3.089 -1.409 10.849 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -4.078 -2.279 12.644 1.00 0.00 N ATOM 0 H ARG A 86 -2.565 5.432 10.006 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.246 3.880 11.792 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.840 2.959 9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.412 3.341 10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.874 1.011 11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.288 1.834 12.643 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.697 1.913 11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.232 0.947 10.471 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.626 0.024 13.211 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.835 -0.601 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.794 -2.344 10.567 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.612 -2.165 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.777 -3.208 12.350 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.317 5.089 12.749 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.512 5.518 13.888 1.00 0.00 C ATOM 1331 C PHE A 87 -0.874 6.956 14.301 1.00 0.00 C ATOM 1332 O PHE A 87 -1.199 7.798 13.460 1.00 0.00 O ATOM 1333 CB PHE A 87 0.986 5.411 13.550 1.00 0.00 C ATOM 1334 CG PHE A 87 1.443 3.998 13.256 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.687 3.110 14.295 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.621 3.553 11.948 1.00 0.00 C ATOM 1337 CE1 PHE A 87 2.100 1.815 14.039 1.00 0.00 C ATOM 1338 CE2 PHE A 87 2.032 2.259 11.689 1.00 0.00 C ATOM 1339 CZ PHE A 87 2.271 1.389 12.735 1.00 0.00 C ATOM 0 H PHE A 87 -0.873 5.247 11.844 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.727 4.861 14.731 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.201 6.040 12.686 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.567 5.805 14.384 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.553 3.435 15.316 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.435 4.228 11.126 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.289 1.137 14.858 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.166 1.928 10.670 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.591 0.377 12.534 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.834 7.225 15.601 1.00 0.00 N ATOM 1350 CA LYS A 88 -1.186 8.548 16.137 1.00 0.00 C ATOM 1351 C LYS A 88 -0.016 9.545 16.029 1.00 0.00 C ATOM 1352 O LYS A 88 0.942 9.310 15.291 1.00 0.00 O ATOM 1353 CB LYS A 88 -1.653 8.410 17.594 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.693 7.631 18.488 1.00 0.00 C ATOM 1355 CD LYS A 88 -1.222 7.475 19.917 1.00 0.00 C ATOM 1356 CE LYS A 88 -2.514 6.653 19.987 1.00 0.00 C ATOM 1357 NZ LYS A 88 -3.712 7.403 19.508 1.00 0.00 N ATOM 0 H LYS A 88 -0.561 6.546 16.311 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.001 8.950 15.535 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.795 9.406 18.014 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.625 7.917 17.607 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.520 6.645 18.058 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.270 8.141 18.514 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.459 6.997 20.532 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.402 8.462 20.343 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.395 5.749 19.389 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.680 6.335 21.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.485 7.298 20.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.473 8.410 19.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.013 7.024 18.587 1.00 0.00 H new ATOM 1371 N GLY A 89 -0.115 10.661 16.760 1.00 0.00 N ATOM 1372 CA GLY A 89 0.886 11.726 16.690 1.00 0.00 C ATOM 1373 C GLY A 89 2.321 11.272 16.968 1.00 0.00 C ATOM 1374 O GLY A 89 2.833 11.420 18.079 1.00 0.00 O ATOM 0 H GLY A 89 -0.881 10.848 17.407 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.848 12.178 15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.620 12.504 17.406 1.00 0.00 H new ATOM 1378 N LYS A 90 2.966 10.723 15.944 1.00 0.00 N ATOM 1379 CA LYS A 90 4.367 10.302 16.020 1.00 0.00 C ATOM 1380 C LYS A 90 5.188 10.936 14.887 1.00 0.00 C ATOM 1381 O LYS A 90 4.646 11.648 14.041 1.00 0.00 O ATOM 1382 CB LYS A 90 4.465 8.771 15.936 1.00 0.00 C ATOM 1383 CG LYS A 90 3.918 8.041 17.161 1.00 0.00 C ATOM 1384 CD LYS A 90 4.009 6.522 17.005 1.00 0.00 C ATOM 1385 CE LYS A 90 5.432 6.063 16.688 1.00 0.00 C ATOM 1386 NZ LYS A 90 6.411 6.518 17.710 1.00 0.00 N ATOM 0 H LYS A 90 2.534 10.556 15.035 1.00 0.00 H new ATOM 0 HA LYS A 90 4.772 10.637 16.975 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.924 8.431 15.053 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.509 8.492 15.797 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.474 8.349 18.046 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.879 8.328 17.321 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.669 6.042 17.923 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.338 6.198 16.209 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.455 4.975 16.625 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.726 6.446 15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.356 6.155 17.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.434 7.558 17.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.129 6.160 18.645 1.00 0.00 H new ATOM 1400 N SER A 91 6.494 10.678 14.879 1.00 0.00 N ATOM 1401 CA SER A 91 7.374 11.157 13.814 1.00 0.00 C ATOM 1402 C SER A 91 6.980 10.555 12.456 1.00 0.00 C ATOM 1403 O SER A 91 6.899 9.333 12.307 1.00 0.00 O ATOM 1404 CB SER A 91 8.826 10.810 14.152 1.00 0.00 C ATOM 1405 OG SER A 91 9.285 11.544 15.280 1.00 0.00 O ATOM 0 H SER A 91 6.969 10.137 15.602 1.00 0.00 H new ATOM 0 HA SER A 91 7.271 12.239 13.739 1.00 0.00 H new ATOM 0 HB2 SER A 91 8.909 9.742 14.352 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.462 11.024 13.293 1.00 0.00 H new ATOM 0 HG SER A 91 10.214 11.300 15.473 1.00 0.00 H new ATOM 1411 N LYS A 92 6.745 11.426 11.473 1.00 0.00 N ATOM 1412 CA LYS A 92 6.237 11.015 10.156 1.00 0.00 C ATOM 1413 C LYS A 92 7.119 9.935 9.500 1.00 0.00 C ATOM 1414 O LYS A 92 6.609 8.989 8.895 1.00 0.00 O ATOM 1415 CB LYS A 92 6.132 12.241 9.238 1.00 0.00 C ATOM 1416 CG LYS A 92 5.470 11.963 7.889 1.00 0.00 C ATOM 1417 CD LYS A 92 5.323 13.241 7.064 1.00 0.00 C ATOM 1418 CE LYS A 92 4.633 12.981 5.729 1.00 0.00 C ATOM 1419 NZ LYS A 92 4.506 14.220 4.920 1.00 0.00 N ATOM 0 H LYS A 92 6.899 12.430 11.563 1.00 0.00 H new ATOM 0 HA LYS A 92 5.250 10.577 10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.568 13.018 9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.133 12.636 9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.064 11.237 7.334 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.488 11.517 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.751 13.975 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.308 13.673 6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.198 12.237 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.643 12.561 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.032 14.000 4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.945 14.921 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.452 14.607 4.727 1.00 0.00 H new ATOM 1433 N GLU A 93 8.438 10.075 9.629 1.00 0.00 N ATOM 1434 CA GLU A 93 9.372 9.088 9.072 1.00 0.00 C ATOM 1435 C GLU A 93 9.175 7.713 9.728 1.00 0.00 C ATOM 1436 O GLU A 93 8.846 6.735 9.052 1.00 0.00 O ATOM 1437 CB GLU A 93 10.832 9.540 9.247 1.00 0.00 C ATOM 1438 CG GLU A 93 11.199 10.827 8.503 1.00 0.00 C ATOM 1439 CD GLU A 93 10.481 12.055 9.041 1.00 0.00 C ATOM 1440 OE1 GLU A 93 10.715 12.416 10.215 1.00 0.00 O ATOM 1441 OE2 GLU A 93 9.685 12.665 8.297 1.00 0.00 O ATOM 0 H GLU A 93 8.885 10.855 10.110 1.00 0.00 H new ATOM 0 HA GLU A 93 9.158 9.006 8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.029 9.683 10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.489 8.740 8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.275 10.984 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.961 10.709 7.446 1.00 0.00 H new ATOM 1448 N GLU A 94 9.355 7.650 11.051 1.00 0.00 N ATOM 1449 CA GLU A 94 9.209 6.392 11.797 1.00 0.00 C ATOM 1450 C GLU A 94 7.844 5.733 11.527 1.00 0.00 C ATOM 1451 O GLU A 94 7.751 4.513 11.387 1.00 0.00 O ATOM 1452 CB GLU A 94 9.391 6.636 13.306 1.00 0.00 C ATOM 1453 CG GLU A 94 9.373 5.356 14.144 1.00 0.00 C ATOM 1454 CD GLU A 94 9.630 5.608 15.624 1.00 0.00 C ATOM 1455 OE1 GLU A 94 10.784 5.920 15.988 1.00 0.00 O ATOM 1456 OE2 GLU A 94 8.681 5.488 16.434 1.00 0.00 O ATOM 0 H GLU A 94 9.602 8.454 11.629 1.00 0.00 H new ATOM 0 HA GLU A 94 9.986 5.711 11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.336 7.153 13.470 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.600 7.299 13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.406 4.866 14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.127 4.668 13.762 1.00 0.00 H new ATOM 1463 N ALA A 95 6.793 6.547 11.440 1.00 0.00 N ATOM 1464 CA ALA A 95 5.450 6.050 11.123 1.00 0.00 C ATOM 1465 C ALA A 95 5.415 5.358 9.746 1.00 0.00 C ATOM 1466 O ALA A 95 4.800 4.298 9.588 1.00 0.00 O ATOM 1467 CB ALA A 95 4.446 7.198 11.170 1.00 0.00 C ATOM 0 H ALA A 95 6.843 7.555 11.584 1.00 0.00 H new ATOM 0 HA ALA A 95 5.178 5.306 11.872 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.451 6.821 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.440 7.636 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.728 7.958 10.442 1.00 0.00 H new ATOM 1473 N PHE A 96 6.077 5.962 8.758 1.00 0.00 N ATOM 1474 CA PHE A 96 6.156 5.388 7.411 1.00 0.00 C ATOM 1475 C PHE A 96 6.988 4.094 7.405 1.00 0.00 C ATOM 1476 O PHE A 96 6.550 3.066 6.883 1.00 0.00 O ATOM 1477 CB PHE A 96 6.751 6.409 6.427 1.00 0.00 C ATOM 1478 CG PHE A 96 6.848 5.898 5.008 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.731 5.886 4.183 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.054 5.432 4.500 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.815 5.416 2.886 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.141 4.961 3.202 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.021 4.955 2.395 1.00 0.00 C ATOM 0 H PHE A 96 6.567 6.850 8.864 1.00 0.00 H new ATOM 0 HA PHE A 96 5.144 5.140 7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.139 7.311 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.745 6.694 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.786 6.248 4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.934 5.437 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.938 5.409 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.084 4.598 2.821 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.088 4.590 1.381 1.00 0.00 H new ATOM 1493 N ASP A 97 8.187 4.141 7.988 1.00 0.00 N ATOM 1494 CA ASP A 97 9.049 2.959 8.064 1.00 0.00 C ATOM 1495 C ASP A 97 8.342 1.791 8.777 1.00 0.00 C ATOM 1496 O ASP A 97 8.421 0.647 8.337 1.00 0.00 O ATOM 1497 CB ASP A 97 10.367 3.296 8.773 1.00 0.00 C ATOM 1498 CG ASP A 97 11.275 4.171 7.924 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.108 5.405 7.935 1.00 0.00 O ATOM 1500 OD2 ASP A 97 12.162 3.621 7.234 1.00 0.00 O ATOM 0 H ASP A 97 8.582 4.980 8.413 1.00 0.00 H new ATOM 0 HA ASP A 97 9.269 2.646 7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.151 3.805 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.888 2.372 9.024 1.00 0.00 H new ATOM 1505 N ALA A 98 7.635 2.095 9.865 1.00 0.00 N ATOM 1506 CA ALA A 98 6.902 1.075 10.626 1.00 0.00 C ATOM 1507 C ALA A 98 5.811 0.394 9.778 1.00 0.00 C ATOM 1508 O ALA A 98 5.783 -0.839 9.663 1.00 0.00 O ATOM 1509 CB ALA A 98 6.293 1.689 11.884 1.00 0.00 C ATOM 0 H ALA A 98 7.552 3.039 10.242 1.00 0.00 H new ATOM 0 HA ALA A 98 7.617 0.305 10.914 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.753 0.922 12.438 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.086 2.098 12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.605 2.486 11.603 1.00 0.00 H new ATOM 1515 N ILE A 99 4.914 1.188 9.178 1.00 0.00 N ATOM 1516 CA ILE A 99 3.849 0.624 8.337 1.00 0.00 C ATOM 1517 C ILE A 99 4.446 -0.180 7.163 1.00 0.00 C ATOM 1518 O ILE A 99 3.912 -1.217 6.765 1.00 0.00 O ATOM 1519 CB ILE A 99 2.883 1.709 7.784 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.680 1.049 7.088 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.606 2.652 6.824 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.668 2.032 6.535 1.00 0.00 C ATOM 0 H ILE A 99 4.903 2.205 9.256 1.00 0.00 H new ATOM 0 HA ILE A 99 3.270 -0.039 8.980 1.00 0.00 H new ATOM 0 HB ILE A 99 2.520 2.300 8.625 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.044 0.422 6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.180 0.390 7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.906 3.400 6.453 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.423 3.148 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.005 2.082 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.148 1.486 6.061 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.273 2.643 7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.150 2.675 5.799 1.00 0.00 H new ATOM 1534 N CYS A 100 5.571 0.299 6.627 1.00 0.00 N ATOM 1535 CA CYS A 100 6.291 -0.410 5.562 1.00 0.00 C ATOM 1536 C CYS A 100 6.906 -1.715 6.084 1.00 0.00 C ATOM 1537 O CYS A 100 6.896 -2.728 5.395 1.00 0.00 O ATOM 1538 CB CYS A 100 7.383 0.483 4.953 1.00 0.00 C ATOM 1539 SG CYS A 100 6.747 1.954 4.113 1.00 0.00 S ATOM 0 H CYS A 100 6.005 1.177 6.913 1.00 0.00 H new ATOM 0 HA CYS A 100 5.569 -0.658 4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.065 0.795 5.744 1.00 0.00 H new ATOM 0 HB3 CYS A 100 7.965 -0.105 4.243 1.00 0.00 H new ATOM 0 HG CYS A 100 6.466 2.869 4.993 1.00 0.00 H new ATOM 1545 N GLN A 101 7.425 -1.683 7.312 1.00 0.00 N ATOM 1546 CA GLN A 101 8.007 -2.874 7.953 1.00 0.00 C ATOM 1547 C GLN A 101 6.981 -4.017 8.056 1.00 0.00 C ATOM 1548 O GLN A 101 7.337 -5.200 8.008 1.00 0.00 O ATOM 1549 CB GLN A 101 8.547 -2.510 9.353 1.00 0.00 C ATOM 1550 CG GLN A 101 10.072 -2.486 9.456 1.00 0.00 C ATOM 1551 CD GLN A 101 10.736 -1.519 8.483 1.00 0.00 C ATOM 1552 OE1 GLN A 101 11.078 -1.878 7.360 1.00 0.00 O ATOM 1553 NE2 GLN A 101 10.942 -0.292 8.910 1.00 0.00 N ATOM 0 H GLN A 101 7.456 -0.843 7.889 1.00 0.00 H new ATOM 0 HA GLN A 101 8.831 -3.223 7.330 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.161 -1.530 9.634 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.158 -3.226 10.077 1.00 0.00 H new ATOM 0 HG2 GLN A 101 10.354 -2.215 10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 101 10.456 -3.490 9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.647 -0.022 9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 101 11.397 0.390 8.303 1.00 0.00 H new ATOM 1562 N LEU A 102 5.708 -3.651 8.204 1.00 0.00 N ATOM 1563 CA LEU A 102 4.612 -4.631 8.239 1.00 0.00 C ATOM 1564 C LEU A 102 4.526 -5.442 6.934 1.00 0.00 C ATOM 1565 O LEU A 102 4.315 -6.656 6.956 1.00 0.00 O ATOM 1566 CB LEU A 102 3.273 -3.914 8.482 1.00 0.00 C ATOM 1567 CG LEU A 102 3.165 -3.141 9.806 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.836 -2.391 9.888 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.325 -4.086 10.996 1.00 0.00 C ATOM 0 H LEU A 102 5.405 -2.682 8.302 1.00 0.00 H new ATOM 0 HA LEU A 102 4.819 -5.323 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.099 -3.219 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.473 -4.654 8.448 1.00 0.00 H new ATOM 0 HG LEU A 102 3.972 -2.409 9.840 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.781 -1.851 10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.766 -1.684 9.061 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.012 -3.102 9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.245 -3.519 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.543 -4.845 10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.301 -4.569 10.948 1.00 0.00 H new ATOM 1581 N VAL A 103 4.707 -4.760 5.803 1.00 0.00 N ATOM 1582 CA VAL A 103 4.539 -5.381 4.479 1.00 0.00 C ATOM 1583 C VAL A 103 5.884 -5.848 3.879 1.00 0.00 C ATOM 1584 O VAL A 103 5.945 -6.840 3.155 1.00 0.00 O ATOM 1585 CB VAL A 103 3.867 -4.384 3.494 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.458 -5.078 2.194 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.670 -3.696 4.149 1.00 0.00 C ATOM 0 H VAL A 103 4.971 -3.775 5.772 1.00 0.00 H new ATOM 0 HA VAL A 103 3.904 -6.256 4.620 1.00 0.00 H new ATOM 0 HB VAL A 103 4.601 -3.619 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.991 -4.354 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.341 -5.499 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.750 -5.877 2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.216 -3.003 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.936 -4.446 4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.003 -3.148 5.030 1.00 0.00 H new ATOM 1597 N ALA A 104 6.958 -5.131 4.203 1.00 0.00 N ATOM 1598 CA ALA A 104 8.277 -5.367 3.603 1.00 0.00 C ATOM 1599 C ALA A 104 8.837 -6.762 3.926 1.00 0.00 C ATOM 1600 O ALA A 104 8.962 -7.141 5.091 1.00 0.00 O ATOM 1601 CB ALA A 104 9.258 -4.294 4.063 1.00 0.00 C ATOM 0 H ALA A 104 6.943 -4.373 4.885 1.00 0.00 H new ATOM 0 HA ALA A 104 8.149 -5.317 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.234 -4.476 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.895 -3.313 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.347 -4.324 5.149 1.00 0.00 H new ATOM 1607 N GLY A 105 9.178 -7.514 2.880 1.00 0.00 N ATOM 1608 CA GLY A 105 9.777 -8.839 3.056 1.00 0.00 C ATOM 1609 C GLY A 105 8.748 -9.952 3.230 1.00 0.00 C ATOM 1610 O GLY A 105 9.087 -11.137 3.176 1.00 0.00 O ATOM 0 H GLY A 105 9.051 -7.232 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.402 -9.064 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.432 -8.821 3.927 1.00 0.00 H new ATOM 1614 N LYS A 106 7.490 -9.578 3.439 1.00 0.00 N ATOM 1615 CA LYS A 106 6.414 -10.555 3.626 1.00 0.00 C ATOM 1616 C LYS A 106 5.821 -10.999 2.276 1.00 0.00 C ATOM 1617 O LYS A 106 5.876 -10.264 1.288 1.00 0.00 O ATOM 1618 CB LYS A 106 5.303 -9.960 4.511 1.00 0.00 C ATOM 1619 CG LYS A 106 4.167 -10.936 4.805 1.00 0.00 C ATOM 1620 CD LYS A 106 2.993 -10.265 5.513 1.00 0.00 C ATOM 1621 CE LYS A 106 1.835 -11.238 5.718 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.335 -11.786 4.428 1.00 0.00 N ATOM 0 H LYS A 106 7.187 -8.605 3.484 1.00 0.00 H new ATOM 0 HA LYS A 106 6.840 -11.430 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.739 -9.629 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.894 -9.076 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.820 -11.378 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.543 -11.751 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.321 -9.879 6.478 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.653 -9.411 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.159 -12.058 6.359 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.022 -10.730 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.359 -11.464 4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.941 -11.452 3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.356 -12.825 4.461 1.00 0.00 H new ATOM 1636 N GLU A 107 5.269 -12.210 2.237 1.00 0.00 N ATOM 1637 CA GLU A 107 4.555 -12.697 1.052 1.00 0.00 C ATOM 1638 C GLU A 107 3.081 -12.252 1.096 1.00 0.00 C ATOM 1639 O GLU A 107 2.582 -11.852 2.150 1.00 0.00 O ATOM 1640 CB GLU A 107 4.645 -14.235 0.950 1.00 0.00 C ATOM 1641 CG GLU A 107 3.939 -15.003 2.069 1.00 0.00 C ATOM 1642 CD GLU A 107 4.760 -15.093 3.346 1.00 0.00 C ATOM 1643 OE1 GLU A 107 5.560 -16.044 3.475 1.00 0.00 O ATOM 1644 OE2 GLU A 107 4.611 -14.218 4.224 1.00 0.00 O ATOM 0 H GLU A 107 5.301 -12.874 3.011 1.00 0.00 H new ATOM 0 HA GLU A 107 5.027 -12.267 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.222 -14.545 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.697 -14.522 0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.988 -14.518 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.710 -16.010 1.721 1.00 0.00 H new ATOM 1651 N PRO A 108 2.360 -12.303 -0.042 1.00 0.00 N ATOM 1652 CA PRO A 108 0.925 -11.955 -0.077 1.00 0.00 C ATOM 1653 C PRO A 108 0.061 -13.002 0.653 1.00 0.00 C ATOM 1654 O PRO A 108 0.509 -13.610 1.629 1.00 0.00 O ATOM 1655 CB PRO A 108 0.616 -11.931 -1.583 1.00 0.00 C ATOM 1656 CG PRO A 108 1.611 -12.865 -2.185 1.00 0.00 C ATOM 1657 CD PRO A 108 2.866 -12.700 -1.371 1.00 0.00 C ATOM 0 HA PRO A 108 0.705 -11.014 0.427 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.405 -12.256 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.717 -10.926 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.254 -13.894 -2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.789 -12.625 -3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.439 -13.626 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.523 -11.940 -1.795 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.187 -13.190 0.207 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.001 -14.310 0.690 1.00 0.00 C ATOM 1667 C ALA A 109 -1.185 -15.608 0.620 1.00 0.00 C ATOM 1668 O ALA A 109 -0.751 -16.003 -0.461 1.00 0.00 O ATOM 1669 CB ALA A 109 -3.281 -14.431 -0.131 1.00 0.00 C ATOM 0 H ALA A 109 -1.649 -12.591 -0.477 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.282 -14.127 1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.874 -15.267 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.858 -13.510 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.027 -14.602 -1.177 1.00 0.00 H new