USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 22 GLN : amide:sc= 0.407 K(o=0.92,f=-1.6!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 140:sc= 0.514 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -2.57! K(o=-2.6!,f=-1.6) USER MOD Single : A 14 GLN : amide:sc= -0.682 X(o=-0.68,f=-0.38) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -116:sc= -0.579 (180deg=-1.34) USER MOD Single : A 31 CYS SG : rot 29:sc= 0.171 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -22:sc= 0.652 USER MOD Single : A 42 SER OG : rot 180:sc= -0.209 USER MOD Single : A 44 GLN : amide:sc= -0.0323 X(o=-0.032,f=-0.33) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= 0.437 (180deg=0.285) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.185 K(o=0.18,f=-2.1) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= -0.0516 (180deg=-1.17) USER MOD Single : A 58 MET CE :methyl -176:sc= -1.09 (180deg=-1.18) USER MOD Single : A 63 ASN : amide:sc=-0.00176 K(o=-0.0018,f=-0.69) USER MOD Single : A 66 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-3.3) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 153:sc= 1.28 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -108:sc= -1.84! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -9.21! C(o=-9.2!,f=-8.9!) USER MOD Single : A 91 GLN : amide:sc= -6.83! C(o=-6.8!,f=-12!) USER MOD Single : A 92 ASN : amide:sc= -0.297 K(o=-0.3,f=-0.84) USER MOD Single : A 93 SER OG : rot 52:sc= 0.462 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.891 25.122 1.505 1.00 0.00 N ATOM 60 CA GLY A 7 2.759 23.679 1.420 1.00 0.00 C ATOM 61 C GLY A 7 4.090 22.987 1.200 1.00 0.00 C ATOM 62 O GLY A 7 5.088 23.632 0.879 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.305 23.304 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.082 23.427 0.604 1.00 0.00 H new ATOM 66 N PHE A 8 4.106 21.670 1.375 1.00 0.00 N ATOM 67 CA PHE A 8 5.325 20.890 1.196 1.00 0.00 C ATOM 68 C PHE A 8 5.118 19.785 0.164 1.00 0.00 C ATOM 69 O PHE A 8 4.084 19.116 0.154 1.00 0.00 O ATOM 70 CB PHE A 8 5.767 20.281 2.529 1.00 0.00 C ATOM 71 CG PHE A 8 5.497 21.168 3.711 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.205 21.354 4.173 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.537 21.815 4.360 1.00 0.00 C ATOM 74 CE1 PHE A 8 3.953 22.169 5.261 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.291 22.631 5.448 1.00 0.00 C ATOM 76 CZ PHE A 8 4.998 22.809 5.898 1.00 0.00 C ATOM 0 H PHE A 8 3.289 21.120 1.641 1.00 0.00 H new ATOM 0 HA PHE A 8 6.105 21.560 0.834 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.254 19.330 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.834 20.063 2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.384 20.857 3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.550 21.680 4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.941 22.305 5.612 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.110 23.129 5.946 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.804 23.448 6.747 1.00 0.00 H new ATOM 86 N ARG A 9 6.108 19.601 -0.704 1.00 0.00 N ATOM 87 CA ARG A 9 6.034 18.579 -1.741 1.00 0.00 C ATOM 88 C ARG A 9 5.719 17.213 -1.138 1.00 0.00 C ATOM 89 O ARG A 9 6.217 16.848 -0.073 1.00 0.00 O ATOM 90 CB ARG A 9 7.350 18.514 -2.518 1.00 0.00 C ATOM 91 CG ARG A 9 7.184 18.079 -3.964 1.00 0.00 C ATOM 92 CD ARG A 9 8.418 18.406 -4.790 1.00 0.00 C ATOM 93 NE ARG A 9 8.400 19.781 -5.280 1.00 0.00 N ATOM 94 CZ ARG A 9 9.408 20.339 -5.942 1.00 0.00 C ATOM 95 NH1 ARG A 9 10.508 19.642 -6.192 1.00 0.00 N ATOM 96 NH2 ARG A 9 9.316 21.596 -6.356 1.00 0.00 N ATOM 0 H ARG A 9 6.970 20.146 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 9 5.229 18.849 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.824 19.495 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.025 17.822 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.993 17.007 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.314 18.574 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.311 18.248 -4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.480 17.721 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 9 7.568 20.344 -5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.582 18.675 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.280 20.073 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.471 22.135 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.090 22.024 -6.864 1.00 0.00 H new ATOM 110 N PRO A 10 4.871 16.440 -1.833 1.00 0.00 N ATOM 111 CA PRO A 10 4.470 15.103 -1.386 1.00 0.00 C ATOM 112 C PRO A 10 5.613 14.097 -1.471 1.00 0.00 C ATOM 113 O PRO A 10 5.897 13.555 -2.540 1.00 0.00 O ATOM 114 CB PRO A 10 3.350 14.725 -2.358 1.00 0.00 C ATOM 115 CG PRO A 10 3.627 15.523 -3.585 1.00 0.00 C ATOM 116 CD PRO A 10 4.239 16.812 -3.110 1.00 0.00 C ATOM 0 HA PRO A 10 4.164 15.097 -0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.355 13.656 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.370 14.963 -1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.306 14.991 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.711 15.709 -4.145 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.969 17.197 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.486 17.588 -2.974 1.00 0.00 H new ATOM 124 N HIS A 11 6.264 13.850 -0.339 1.00 0.00 N ATOM 125 CA HIS A 11 7.375 12.907 -0.286 1.00 0.00 C ATOM 126 C HIS A 11 7.145 11.856 0.795 1.00 0.00 C ATOM 127 O HIS A 11 6.762 12.180 1.920 1.00 0.00 O ATOM 128 CB HIS A 11 8.687 13.647 -0.023 1.00 0.00 C ATOM 129 CG HIS A 11 9.710 12.817 0.690 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.840 12.321 0.073 1.00 0.00 N ATOM 131 CD2 HIS A 11 9.771 12.397 1.975 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.549 11.631 0.948 1.00 0.00 C ATOM 133 NE2 HIS A 11 10.923 11.662 2.110 1.00 0.00 N ATOM 0 H HIS A 11 6.041 14.290 0.554 1.00 0.00 H new ATOM 0 HA HIS A 11 7.437 12.403 -1.250 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.102 13.983 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.479 14.539 0.568 1.00 0.00 H new ATOM 0 HD1 HIS A 11 11.089 12.465 -0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 11 9.048 12.602 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.483 11.127 0.747 1.00 0.00 H new ATOM 141 N PHE A 12 7.380 10.595 0.447 1.00 0.00 N ATOM 142 CA PHE A 12 7.196 9.495 1.388 1.00 0.00 C ATOM 143 C PHE A 12 8.388 9.384 2.334 1.00 0.00 C ATOM 144 O PHE A 12 9.462 8.922 1.947 1.00 0.00 O ATOM 145 CB PHE A 12 7.004 8.178 0.634 1.00 0.00 C ATOM 146 CG PHE A 12 5.792 8.165 -0.252 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.525 8.013 0.288 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.918 8.304 -1.625 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.406 8.001 -0.524 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.804 8.293 -2.442 1.00 0.00 C ATOM 151 CZ PHE A 12 3.546 8.140 -1.891 1.00 0.00 C ATOM 0 H PHE A 12 7.698 10.309 -0.479 1.00 0.00 H new ATOM 0 HA PHE A 12 6.304 9.700 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.889 7.983 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.926 7.364 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.410 7.903 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.899 8.422 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.424 7.883 -0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.916 8.404 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.674 8.129 -2.528 1.00 0.00 H new ATOM 161 N LEU A 13 8.190 9.811 3.576 1.00 0.00 N ATOM 162 CA LEU A 13 9.248 9.761 4.580 1.00 0.00 C ATOM 163 C LEU A 13 9.758 8.335 4.762 1.00 0.00 C ATOM 164 O LEU A 13 10.953 8.071 4.626 1.00 0.00 O ATOM 165 CB LEU A 13 8.739 10.307 5.915 1.00 0.00 C ATOM 166 CG LEU A 13 8.271 11.763 5.910 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.676 12.137 7.258 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.423 12.692 5.557 1.00 0.00 C ATOM 0 H LEU A 13 7.307 10.196 3.912 1.00 0.00 H new ATOM 0 HA LEU A 13 10.074 10.382 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.911 9.681 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.534 10.204 6.654 1.00 0.00 H new ATOM 0 HG LEU A 13 7.496 11.873 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.349 13.176 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.823 11.492 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.429 12.011 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.072 13.724 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.220 12.579 6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.804 12.440 4.567 1.00 0.00 H new ATOM 180 N GLN A 14 8.845 7.420 5.069 1.00 0.00 N ATOM 181 CA GLN A 14 9.203 6.020 5.268 1.00 0.00 C ATOM 182 C GLN A 14 8.378 5.113 4.361 1.00 0.00 C ATOM 183 O GLN A 14 7.163 4.999 4.519 1.00 0.00 O ATOM 184 CB GLN A 14 8.997 5.623 6.730 1.00 0.00 C ATOM 185 CG GLN A 14 9.700 4.331 7.114 1.00 0.00 C ATOM 186 CD GLN A 14 11.162 4.321 6.711 1.00 0.00 C ATOM 187 OE1 GLN A 14 12.026 4.789 7.453 1.00 0.00 O ATOM 188 NE2 GLN A 14 11.446 3.784 5.530 1.00 0.00 N ATOM 0 H GLN A 14 7.852 7.622 5.185 1.00 0.00 H new ATOM 0 HA GLN A 14 10.255 5.900 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.358 6.428 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.929 5.517 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.623 4.186 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.191 3.491 6.642 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.698 3.408 4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.412 3.748 5.205 1.00 0.00 H new ATOM 197 N ALA A 15 9.047 4.470 3.409 1.00 0.00 N ATOM 198 CA ALA A 15 8.376 3.572 2.478 1.00 0.00 C ATOM 199 C ALA A 15 8.923 2.153 2.593 1.00 0.00 C ATOM 200 O ALA A 15 10.117 1.937 2.800 1.00 0.00 O ATOM 201 CB ALA A 15 8.524 4.082 1.052 1.00 0.00 C ATOM 0 H ALA A 15 10.053 4.555 3.263 1.00 0.00 H new ATOM 0 HA ALA A 15 7.317 3.548 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.018 3.401 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.079 5.074 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.581 4.137 0.793 1.00 0.00 H new ATOM 207 N PRO A 16 8.030 1.161 2.458 1.00 0.00 N ATOM 208 CA PRO A 16 8.401 -0.255 2.544 1.00 0.00 C ATOM 209 C PRO A 16 9.234 -0.709 1.350 1.00 0.00 C ATOM 210 O PRO A 16 9.562 0.087 0.471 1.00 0.00 O ATOM 211 CB PRO A 16 7.050 -0.975 2.559 1.00 0.00 C ATOM 212 CG PRO A 16 6.115 -0.041 1.871 1.00 0.00 C ATOM 213 CD PRO A 16 6.590 1.345 2.210 1.00 0.00 C ATOM 0 HA PRO A 16 9.020 -0.463 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.106 -1.932 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.723 -1.183 3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.124 -0.204 0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.090 -0.196 2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.409 2.043 1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.079 1.742 3.087 1.00 0.00 H new ATOM 221 N GLY A 17 9.571 -1.995 1.324 1.00 0.00 N ATOM 222 CA GLY A 17 10.363 -2.533 0.233 1.00 0.00 C ATOM 223 C GLY A 17 9.875 -3.894 -0.221 1.00 0.00 C ATOM 224 O GLY A 17 8.790 -4.014 -0.790 1.00 0.00 O ATOM 0 H GLY A 17 9.310 -2.674 2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.334 -1.841 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.404 -2.610 0.547 1.00 0.00 H new ATOM 228 N ASP A 18 10.677 -4.922 0.030 1.00 0.00 N ATOM 229 CA ASP A 18 10.322 -6.283 -0.357 1.00 0.00 C ATOM 230 C ASP A 18 9.768 -7.059 0.833 1.00 0.00 C ATOM 231 O ASP A 18 10.329 -7.021 1.929 1.00 0.00 O ATOM 232 CB ASP A 18 11.540 -7.007 -0.932 1.00 0.00 C ATOM 233 CG ASP A 18 11.497 -8.501 -0.681 1.00 0.00 C ATOM 234 OD1 ASP A 18 10.746 -9.201 -1.391 1.00 0.00 O ATOM 235 OD2 ASP A 18 12.214 -8.971 0.228 1.00 0.00 O ATOM 0 H ASP A 18 11.578 -4.839 0.500 1.00 0.00 H new ATOM 0 HA ASP A 18 9.548 -6.227 -1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.595 -6.823 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.447 -6.593 -0.491 1.00 0.00 H new ATOM 240 N LEU A 19 8.663 -7.763 0.612 1.00 0.00 N ATOM 241 CA LEU A 19 8.032 -8.549 1.666 1.00 0.00 C ATOM 242 C LEU A 19 7.635 -9.930 1.154 1.00 0.00 C ATOM 243 O LEU A 19 7.540 -10.152 -0.054 1.00 0.00 O ATOM 244 CB LEU A 19 6.801 -7.819 2.206 1.00 0.00 C ATOM 245 CG LEU A 19 7.065 -6.750 3.267 1.00 0.00 C ATOM 246 CD1 LEU A 19 7.627 -5.490 2.627 1.00 0.00 C ATOM 247 CD2 LEU A 19 5.790 -6.436 4.036 1.00 0.00 C ATOM 0 H LEU A 19 8.185 -7.805 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 19 8.755 -8.676 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.285 -7.351 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.120 -8.559 2.626 1.00 0.00 H new ATOM 0 HG LEU A 19 7.804 -7.137 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.809 -4.741 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.564 -5.725 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.912 -5.100 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.996 -5.673 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.030 -6.070 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.429 -7.340 4.527 1.00 0.00 H new ATOM 259 N THR A 20 7.402 -10.855 2.079 1.00 0.00 N ATOM 260 CA THR A 20 7.014 -12.213 1.722 1.00 0.00 C ATOM 261 C THR A 20 5.857 -12.701 2.587 1.00 0.00 C ATOM 262 O THR A 20 6.000 -12.861 3.799 1.00 0.00 O ATOM 263 CB THR A 20 8.195 -13.191 1.865 1.00 0.00 C ATOM 264 OG1 THR A 20 9.414 -12.546 1.482 1.00 0.00 O ATOM 265 CG2 THR A 20 7.980 -14.430 1.009 1.00 0.00 C ATOM 0 H THR A 20 7.475 -10.688 3.083 1.00 0.00 H new ATOM 0 HA THR A 20 6.698 -12.187 0.679 1.00 0.00 H new ATOM 0 HB THR A 20 8.259 -13.498 2.909 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.160 -13.174 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.827 -15.105 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.067 -14.935 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.892 -14.138 -0.038 1.00 0.00 H new ATOM 273 N VAL A 21 4.711 -12.936 1.957 1.00 0.00 N ATOM 274 CA VAL A 21 3.529 -13.407 2.670 1.00 0.00 C ATOM 275 C VAL A 21 2.910 -14.612 1.970 1.00 0.00 C ATOM 276 O VAL A 21 2.664 -14.583 0.765 1.00 0.00 O ATOM 277 CB VAL A 21 2.468 -12.297 2.793 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.119 -12.888 3.174 1.00 0.00 C ATOM 279 CG2 VAL A 21 2.907 -11.252 3.806 1.00 0.00 C ATOM 0 H VAL A 21 4.575 -12.808 0.954 1.00 0.00 H new ATOM 0 HA VAL A 21 3.856 -13.698 3.668 1.00 0.00 H new ATOM 0 HB VAL A 21 2.363 -11.809 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.382 -12.089 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.803 -13.596 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.205 -13.403 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.146 -10.475 3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.041 -11.723 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.849 -10.807 3.485 1.00 0.00 H new ATOM 289 N GLN A 22 2.660 -15.669 2.736 1.00 0.00 N ATOM 290 CA GLN A 22 2.069 -16.885 2.189 1.00 0.00 C ATOM 291 C GLN A 22 0.631 -16.639 1.743 1.00 0.00 C ATOM 292 O GLN A 22 -0.050 -15.761 2.272 1.00 0.00 O ATOM 293 CB GLN A 22 2.108 -18.008 3.227 1.00 0.00 C ATOM 294 CG GLN A 22 2.162 -19.399 2.616 1.00 0.00 C ATOM 295 CD GLN A 22 1.764 -20.483 3.599 1.00 0.00 C ATOM 296 OE1 GLN A 22 0.958 -20.254 4.501 1.00 0.00 O ATOM 297 NE2 GLN A 22 2.329 -21.673 3.428 1.00 0.00 N ATOM 0 H GLN A 22 2.857 -15.708 3.736 1.00 0.00 H new ATOM 0 HA GLN A 22 2.654 -17.183 1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.978 -17.868 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.226 -17.934 3.864 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.500 -19.438 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.172 -19.594 2.255 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.992 -21.818 2.667 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.100 -22.442 4.058 1.00 0.00 H new ATOM 306 N GLU A 23 0.178 -17.419 0.767 1.00 0.00 N ATOM 307 CA GLU A 23 -1.179 -17.283 0.249 1.00 0.00 C ATOM 308 C GLU A 23 -2.208 -17.587 1.334 1.00 0.00 C ATOM 309 O GLU A 23 -2.107 -18.593 2.036 1.00 0.00 O ATOM 310 CB GLU A 23 -1.389 -18.217 -0.944 1.00 0.00 C ATOM 311 CG GLU A 23 -2.765 -18.096 -1.577 1.00 0.00 C ATOM 312 CD GLU A 23 -3.802 -18.964 -0.891 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.437 -20.063 -0.423 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.976 -18.545 -0.823 1.00 0.00 O ATOM 0 H GLU A 23 0.730 -18.151 0.319 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.314 -16.252 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.631 -18.005 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.237 -19.246 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.087 -17.055 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.702 -18.374 -2.629 1.00 0.00 H new ATOM 321 N GLY A 24 -3.198 -16.709 1.466 1.00 0.00 N ATOM 322 CA GLY A 24 -4.231 -16.901 2.468 1.00 0.00 C ATOM 323 C GLY A 24 -3.848 -16.318 3.814 1.00 0.00 C ATOM 324 O GLY A 24 -4.420 -16.681 4.841 1.00 0.00 O ATOM 0 H GLY A 24 -3.303 -15.869 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.156 -16.438 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.430 -17.967 2.580 1.00 0.00 H new ATOM 328 N LYS A 25 -2.875 -15.413 3.810 1.00 0.00 N ATOM 329 CA LYS A 25 -2.415 -14.779 5.040 1.00 0.00 C ATOM 330 C LYS A 25 -2.655 -13.273 4.998 1.00 0.00 C ATOM 331 O LYS A 25 -3.069 -12.728 3.974 1.00 0.00 O ATOM 332 CB LYS A 25 -0.927 -15.063 5.258 1.00 0.00 C ATOM 333 CG LYS A 25 -0.625 -16.518 5.574 1.00 0.00 C ATOM 334 CD LYS A 25 -0.865 -16.832 7.041 1.00 0.00 C ATOM 335 CE LYS A 25 -0.872 -18.331 7.296 1.00 0.00 C ATOM 336 NZ LYS A 25 0.494 -18.917 7.197 1.00 0.00 N ATOM 0 H LYS A 25 -2.390 -15.102 2.968 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.984 -15.197 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.375 -14.772 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.563 -14.439 6.074 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.250 -17.163 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.411 -16.739 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.090 -16.363 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.817 -16.404 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.281 -18.529 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.529 -18.819 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.622 -19.629 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.612 -19.367 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.203 -18.165 7.310 1.00 0.00 H new ATOM 350 N LEU A 26 -2.391 -12.606 6.116 1.00 0.00 N ATOM 351 CA LEU A 26 -2.577 -11.162 6.207 1.00 0.00 C ATOM 352 C LEU A 26 -1.307 -10.422 5.799 1.00 0.00 C ATOM 353 O LEU A 26 -0.223 -10.701 6.313 1.00 0.00 O ATOM 354 CB LEU A 26 -2.976 -10.767 7.630 1.00 0.00 C ATOM 355 CG LEU A 26 -2.941 -9.272 7.947 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.507 -8.765 7.970 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.768 -8.492 6.935 1.00 0.00 C ATOM 0 H LEU A 26 -2.048 -13.042 6.972 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.376 -10.880 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.985 -11.134 7.818 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.315 -11.281 8.327 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.375 -9.120 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.502 -7.699 8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.944 -9.302 8.733 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.047 -8.931 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.731 -7.430 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.364 -8.651 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.802 -8.836 6.967 1.00 0.00 H new ATOM 369 N CYS A 27 -1.449 -9.478 4.876 1.00 0.00 N ATOM 370 CA CYS A 27 -0.312 -8.697 4.400 1.00 0.00 C ATOM 371 C CYS A 27 -0.487 -7.220 4.742 1.00 0.00 C ATOM 372 O CYS A 27 -1.219 -6.499 4.065 1.00 0.00 O ATOM 373 CB CYS A 27 -0.146 -8.867 2.890 1.00 0.00 C ATOM 374 SG CYS A 27 1.042 -7.726 2.144 1.00 0.00 S ATOM 0 H CYS A 27 -2.339 -9.234 4.442 1.00 0.00 H new ATOM 0 HA CYS A 27 0.585 -9.064 4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.170 -9.890 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.115 -8.729 2.411 1.00 0.00 H new ATOM 0 HG CYS A 27 1.114 -7.949 0.865 1.00 0.00 H new ATOM 380 N ARG A 28 0.191 -6.778 5.796 1.00 0.00 N ATOM 381 CA ARG A 28 0.108 -5.389 6.229 1.00 0.00 C ATOM 382 C ARG A 28 1.134 -4.529 5.496 1.00 0.00 C ATOM 383 O ARG A 28 2.226 -4.992 5.170 1.00 0.00 O ATOM 384 CB ARG A 28 0.330 -5.289 7.740 1.00 0.00 C ATOM 385 CG ARG A 28 -0.093 -3.954 8.331 1.00 0.00 C ATOM 386 CD ARG A 28 -0.369 -4.067 9.822 1.00 0.00 C ATOM 387 NE ARG A 28 0.846 -3.913 10.617 1.00 0.00 N ATOM 388 CZ ARG A 28 0.949 -4.296 11.884 1.00 0.00 C ATOM 389 NH1 ARG A 28 -0.086 -4.854 12.498 1.00 0.00 N ATOM 390 NH2 ARG A 28 2.089 -4.121 12.541 1.00 0.00 N ATOM 0 H ARG A 28 0.804 -7.362 6.366 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.889 -5.019 5.990 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.224 -6.087 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.386 -5.454 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.690 -3.215 8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.987 -3.596 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.093 -3.307 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.821 -5.036 10.035 1.00 0.00 H new ATOM 0 HE ARG A 28 1.661 -3.488 10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.964 -4.990 11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.004 -5.147 13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.887 -3.692 12.072 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.167 -4.416 13.514 1.00 0.00 H new ATOM 404 N MET A 29 0.773 -3.276 5.239 1.00 0.00 N ATOM 405 CA MET A 29 1.662 -2.352 4.545 1.00 0.00 C ATOM 406 C MET A 29 1.339 -0.907 4.913 1.00 0.00 C ATOM 407 O MET A 29 0.219 -0.440 4.709 1.00 0.00 O ATOM 408 CB MET A 29 1.548 -2.542 3.031 1.00 0.00 C ATOM 409 CG MET A 29 2.142 -3.851 2.537 1.00 0.00 C ATOM 410 SD MET A 29 2.746 -3.744 0.841 1.00 0.00 S ATOM 411 CE MET A 29 1.202 -3.723 -0.067 1.00 0.00 C ATOM 0 H MET A 29 -0.129 -2.877 5.501 1.00 0.00 H new ATOM 0 HA MET A 29 2.684 -2.568 4.856 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.497 -2.499 2.746 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.049 -1.713 2.530 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.962 -4.144 3.193 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.387 -4.635 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.134 -4.614 -0.691 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.368 -3.707 0.634 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.163 -2.835 -0.698 1.00 0.00 H new ATOM 421 N ASP A 30 2.327 -0.205 5.457 1.00 0.00 N ATOM 422 CA ASP A 30 2.149 1.187 5.852 1.00 0.00 C ATOM 423 C ASP A 30 3.074 2.102 5.056 1.00 0.00 C ATOM 424 O ASP A 30 4.073 1.652 4.493 1.00 0.00 O ATOM 425 CB ASP A 30 2.414 1.352 7.350 1.00 0.00 C ATOM 426 CG ASP A 30 3.549 0.472 7.837 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.683 0.640 7.343 1.00 0.00 O ATOM 428 OD2 ASP A 30 3.302 -0.385 8.711 1.00 0.00 O ATOM 0 H ASP A 30 3.260 -0.578 5.634 1.00 0.00 H new ATOM 0 HA ASP A 30 1.118 1.470 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.650 2.395 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.507 1.111 7.905 1.00 0.00 H new ATOM 433 N CYS A 31 2.734 3.385 5.011 1.00 0.00 N ATOM 434 CA CYS A 31 3.533 4.363 4.281 1.00 0.00 C ATOM 435 C CYS A 31 3.311 5.767 4.834 1.00 0.00 C ATOM 436 O CYS A 31 2.174 6.194 5.038 1.00 0.00 O ATOM 437 CB CYS A 31 3.185 4.327 2.792 1.00 0.00 C ATOM 438 SG CYS A 31 1.463 4.739 2.426 1.00 0.00 S ATOM 0 H CYS A 31 1.910 3.773 5.471 1.00 0.00 H new ATOM 0 HA CYS A 31 4.584 4.104 4.407 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.835 5.023 2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.400 3.331 2.404 1.00 0.00 H new ATOM 0 HG CYS A 31 1.005 5.541 3.341 1.00 0.00 H new ATOM 444 N LYS A 32 4.405 6.481 5.076 1.00 0.00 N ATOM 445 CA LYS A 32 4.332 7.838 5.605 1.00 0.00 C ATOM 446 C LYS A 32 4.605 8.865 4.511 1.00 0.00 C ATOM 447 O LYS A 32 5.686 8.889 3.924 1.00 0.00 O ATOM 448 CB LYS A 32 5.335 8.016 6.747 1.00 0.00 C ATOM 449 CG LYS A 32 5.054 9.227 7.621 1.00 0.00 C ATOM 450 CD LYS A 32 4.137 8.877 8.781 1.00 0.00 C ATOM 451 CE LYS A 32 4.928 8.433 10.002 1.00 0.00 C ATOM 452 NZ LYS A 32 4.037 8.015 11.119 1.00 0.00 N ATOM 0 H LYS A 32 5.353 6.142 4.914 1.00 0.00 H new ATOM 0 HA LYS A 32 3.323 7.999 5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.328 7.121 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.337 8.105 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.993 9.625 8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.597 10.013 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.526 9.742 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.454 8.083 8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.582 7.604 9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.570 9.249 10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.615 7.720 11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.431 8.813 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.442 7.220 10.810 1.00 0.00 H new ATOM 466 N VAL A 33 3.617 9.713 4.242 1.00 0.00 N ATOM 467 CA VAL A 33 3.751 10.744 3.220 1.00 0.00 C ATOM 468 C VAL A 33 3.579 12.136 3.817 1.00 0.00 C ATOM 469 O VAL A 33 2.586 12.416 4.489 1.00 0.00 O ATOM 470 CB VAL A 33 2.722 10.551 2.090 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.334 10.964 2.556 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.135 11.337 0.855 1.00 0.00 C ATOM 0 H VAL A 33 2.715 9.706 4.718 1.00 0.00 H new ATOM 0 HA VAL A 33 4.755 10.651 2.807 1.00 0.00 H new ATOM 0 HB VAL A 33 2.691 9.494 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.620 10.821 1.745 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.040 10.353 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.346 12.014 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.397 11.190 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.196 12.397 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.109 10.988 0.511 1.00 0.00 H new ATOM 482 N SER A 34 4.553 13.005 3.568 1.00 0.00 N ATOM 483 CA SER A 34 4.511 14.369 4.084 1.00 0.00 C ATOM 484 C SER A 34 4.030 15.341 3.011 1.00 0.00 C ATOM 485 O SER A 34 4.333 15.179 1.830 1.00 0.00 O ATOM 486 CB SER A 34 5.894 14.789 4.586 1.00 0.00 C ATOM 487 OG SER A 34 6.726 15.191 3.512 1.00 0.00 O ATOM 0 H SER A 34 5.381 12.789 3.012 1.00 0.00 H new ATOM 0 HA SER A 34 3.807 14.396 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.793 15.608 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.358 13.959 5.119 1.00 0.00 H new ATOM 0 HG SER A 34 7.603 15.456 3.859 1.00 0.00 H new ATOM 493 N GLY A 35 3.277 16.353 3.433 1.00 0.00 N ATOM 494 CA GLY A 35 2.766 17.337 2.497 1.00 0.00 C ATOM 495 C GLY A 35 1.464 17.959 2.964 1.00 0.00 C ATOM 496 O GLY A 35 0.693 17.331 3.691 1.00 0.00 O ATOM 0 H GLY A 35 3.012 16.508 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.510 18.121 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.612 16.865 1.526 1.00 0.00 H new ATOM 500 N LEU A 36 1.220 19.197 2.548 1.00 0.00 N ATOM 501 CA LEU A 36 0.003 19.905 2.930 1.00 0.00 C ATOM 502 C LEU A 36 -0.629 20.591 1.723 1.00 0.00 C ATOM 503 O LEU A 36 0.025 20.848 0.712 1.00 0.00 O ATOM 504 CB LEU A 36 0.310 20.939 4.015 1.00 0.00 C ATOM 505 CG LEU A 36 0.268 20.431 5.457 1.00 0.00 C ATOM 506 CD1 LEU A 36 1.455 19.522 5.737 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.245 21.598 6.433 1.00 0.00 C ATOM 0 H LEU A 36 1.848 19.731 1.947 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.705 19.175 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.301 21.352 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.401 21.759 3.919 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.646 19.853 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.409 19.170 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.427 18.668 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.381 20.076 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.215 21.218 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.141 22.204 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.638 22.210 6.248 1.00 0.00 H new ATOM 519 N PRO A 37 -1.930 20.897 1.830 1.00 0.00 N ATOM 520 CA PRO A 37 -2.719 20.595 3.028 1.00 0.00 C ATOM 521 C PRO A 37 -2.955 19.100 3.205 1.00 0.00 C ATOM 522 O PRO A 37 -3.109 18.612 4.326 1.00 0.00 O ATOM 523 CB PRO A 37 -4.043 21.320 2.774 1.00 0.00 C ATOM 524 CG PRO A 37 -4.143 21.416 1.290 1.00 0.00 C ATOM 525 CD PRO A 37 -2.733 21.561 0.789 1.00 0.00 C ATOM 0 HA PRO A 37 -2.213 20.912 3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.884 20.767 3.193 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.049 22.307 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.616 20.527 0.872 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.752 22.270 0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.601 21.086 -0.183 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.454 22.608 0.673 1.00 0.00 H new ATOM 533 N THR A 38 -2.983 18.374 2.092 1.00 0.00 N ATOM 534 CA THR A 38 -3.201 16.933 2.124 1.00 0.00 C ATOM 535 C THR A 38 -2.871 16.297 0.778 1.00 0.00 C ATOM 536 O THR A 38 -3.581 16.476 -0.211 1.00 0.00 O ATOM 537 CB THR A 38 -4.657 16.594 2.495 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.962 17.104 3.798 1.00 0.00 O ATOM 539 CG2 THR A 38 -4.886 15.090 2.467 1.00 0.00 C ATOM 0 H THR A 38 -2.857 18.761 1.157 1.00 0.00 H new ATOM 0 HA THR A 38 -2.535 16.529 2.887 1.00 0.00 H new ATOM 0 HB THR A 38 -5.314 17.060 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.132 17.228 4.303 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.921 14.875 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.681 14.709 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.220 14.607 3.182 1.00 0.00 H new ATOM 547 N PRO A 39 -1.768 15.535 0.738 1.00 0.00 N ATOM 548 CA PRO A 39 -1.319 14.855 -0.481 1.00 0.00 C ATOM 549 C PRO A 39 -2.243 13.710 -0.880 1.00 0.00 C ATOM 550 O PRO A 39 -2.350 12.710 -0.170 1.00 0.00 O ATOM 551 CB PRO A 39 0.063 14.319 -0.099 1.00 0.00 C ATOM 552 CG PRO A 39 0.017 14.173 1.383 1.00 0.00 C ATOM 553 CD PRO A 39 -0.874 15.277 1.880 1.00 0.00 C ATOM 0 HA PRO A 39 -1.309 15.524 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.265 13.364 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.852 15.006 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.376 13.197 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.015 14.253 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.432 14.975 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.302 16.164 2.151 1.00 0.00 H new ATOM 561 N ASP A 40 -2.908 13.863 -2.019 1.00 0.00 N ATOM 562 CA ASP A 40 -3.823 12.840 -2.514 1.00 0.00 C ATOM 563 C ASP A 40 -3.070 11.773 -3.303 1.00 0.00 C ATOM 564 O ASP A 40 -2.640 12.009 -4.433 1.00 0.00 O ATOM 565 CB ASP A 40 -4.904 13.473 -3.391 1.00 0.00 C ATOM 566 CG ASP A 40 -5.945 14.219 -2.580 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.616 15.295 -2.039 1.00 0.00 O ATOM 568 OD2 ASP A 40 -7.088 13.726 -2.484 1.00 0.00 O ATOM 0 H ASP A 40 -2.831 14.685 -2.618 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.296 12.365 -1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.438 14.160 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.393 12.695 -3.977 1.00 0.00 H new ATOM 573 N LEU A 41 -2.913 10.600 -2.700 1.00 0.00 N ATOM 574 CA LEU A 41 -2.210 9.496 -3.346 1.00 0.00 C ATOM 575 C LEU A 41 -3.175 8.367 -3.694 1.00 0.00 C ATOM 576 O LEU A 41 -4.210 8.201 -3.051 1.00 0.00 O ATOM 577 CB LEU A 41 -1.099 8.971 -2.436 1.00 0.00 C ATOM 578 CG LEU A 41 -1.555 8.275 -1.153 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.487 7.309 -0.661 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.886 9.300 -0.078 1.00 0.00 C ATOM 0 H LEU A 41 -3.262 10.388 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.768 9.869 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.489 8.272 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.455 9.807 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.458 7.705 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.829 6.823 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.299 6.554 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.433 7.857 -0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.209 8.786 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.001 9.898 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.686 9.951 -0.430 1.00 0.00 H new ATOM 592 N SER A 42 -2.825 7.592 -4.716 1.00 0.00 N ATOM 593 CA SER A 42 -3.661 6.478 -5.151 1.00 0.00 C ATOM 594 C SER A 42 -2.855 5.184 -5.207 1.00 0.00 C ATOM 595 O SER A 42 -1.624 5.206 -5.198 1.00 0.00 O ATOM 596 CB SER A 42 -4.267 6.774 -6.525 1.00 0.00 C ATOM 597 OG SER A 42 -4.938 5.638 -7.041 1.00 0.00 O ATOM 0 H SER A 42 -1.970 7.715 -5.258 1.00 0.00 H new ATOM 0 HA SER A 42 -4.465 6.354 -4.426 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.965 7.608 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.480 7.080 -7.215 1.00 0.00 H new ATOM 0 HG SER A 42 -5.318 5.853 -7.918 1.00 0.00 H new ATOM 603 N TRP A 43 -3.558 4.059 -5.264 1.00 0.00 N ATOM 604 CA TRP A 43 -2.909 2.754 -5.321 1.00 0.00 C ATOM 605 C TRP A 43 -3.079 2.121 -6.697 1.00 0.00 C ATOM 606 O TRP A 43 -4.186 2.068 -7.232 1.00 0.00 O ATOM 607 CB TRP A 43 -3.482 1.829 -4.246 1.00 0.00 C ATOM 608 CG TRP A 43 -3.110 2.236 -2.852 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.785 3.105 -2.044 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.973 1.791 -2.104 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.136 3.227 -0.839 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.022 2.430 -0.850 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.919 0.913 -2.371 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.058 2.219 0.131 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.038 0.704 -1.396 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.037 1.355 -0.157 1.00 0.00 C ATOM 0 H TRP A 43 -4.577 4.024 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.844 2.897 -5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.568 1.811 -4.334 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.131 0.813 -4.426 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.695 3.621 -2.312 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.435 3.816 -0.062 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.853 0.407 -3.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.114 2.720 1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.857 0.028 -1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.726 1.171 0.585 1.00 0.00 H new ATOM 627 N GLN A 44 -1.977 1.642 -7.264 1.00 0.00 N ATOM 628 CA GLN A 44 -2.006 1.012 -8.579 1.00 0.00 C ATOM 629 C GLN A 44 -1.242 -0.307 -8.568 1.00 0.00 C ATOM 630 O GLN A 44 -0.089 -0.365 -8.139 1.00 0.00 O ATOM 631 CB GLN A 44 -1.413 1.951 -9.630 1.00 0.00 C ATOM 632 CG GLN A 44 -2.219 3.224 -9.834 1.00 0.00 C ATOM 633 CD GLN A 44 -2.045 3.808 -11.222 1.00 0.00 C ATOM 634 OE1 GLN A 44 -2.157 3.102 -12.225 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.769 5.106 -11.288 1.00 0.00 N ATOM 0 H GLN A 44 -1.053 1.678 -6.834 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.046 0.805 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.398 2.217 -9.336 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.341 1.421 -10.580 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.274 3.013 -9.662 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.917 3.963 -9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.685 5.654 -10.432 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.641 5.555 -12.195 1.00 0.00 H new ATOM 644 N LEU A 45 -1.890 -1.365 -9.043 1.00 0.00 N ATOM 645 CA LEU A 45 -1.271 -2.685 -9.088 1.00 0.00 C ATOM 646 C LEU A 45 -1.185 -3.197 -10.522 1.00 0.00 C ATOM 647 O LEU A 45 -2.202 -3.358 -11.197 1.00 0.00 O ATOM 648 CB LEU A 45 -2.064 -3.672 -8.229 1.00 0.00 C ATOM 649 CG LEU A 45 -1.541 -5.108 -8.200 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.183 -5.168 -7.518 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.533 -6.023 -7.498 1.00 0.00 C ATOM 0 H LEU A 45 -2.844 -1.334 -9.402 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.260 -2.598 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.088 -3.295 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.093 -3.689 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.424 -5.452 -9.228 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.173 -6.198 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.526 -4.545 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.273 -4.804 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.144 -7.041 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.682 -5.680 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.485 -6.004 -8.029 1.00 0.00 H new ATOM 663 N ASP A 46 0.036 -3.455 -10.980 1.00 0.00 N ATOM 664 CA ASP A 46 0.255 -3.952 -12.333 1.00 0.00 C ATOM 665 C ASP A 46 -0.361 -3.012 -13.365 1.00 0.00 C ATOM 666 O ASP A 46 -1.024 -3.452 -14.303 1.00 0.00 O ATOM 667 CB ASP A 46 -0.336 -5.355 -12.486 1.00 0.00 C ATOM 668 CG ASP A 46 0.402 -6.388 -11.657 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.651 -6.377 -11.671 1.00 0.00 O ATOM 670 OD2 ASP A 46 -0.269 -7.207 -10.995 1.00 0.00 O ATOM 0 H ASP A 46 0.888 -3.328 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 46 1.330 -3.998 -12.506 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.385 -5.338 -12.190 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.305 -5.647 -13.536 1.00 0.00 H new ATOM 675 N GLY A 47 -0.138 -1.714 -13.182 1.00 0.00 N ATOM 676 CA GLY A 47 -0.679 -0.732 -14.104 1.00 0.00 C ATOM 677 C GLY A 47 -2.195 -0.727 -14.121 1.00 0.00 C ATOM 678 O GLY A 47 -2.811 -0.580 -15.177 1.00 0.00 O ATOM 0 H GLY A 47 0.407 -1.325 -12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.318 0.259 -13.828 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.308 -0.938 -15.108 1.00 0.00 H new ATOM 682 N LYS A 48 -2.799 -0.888 -12.949 1.00 0.00 N ATOM 683 CA LYS A 48 -4.252 -0.901 -12.832 1.00 0.00 C ATOM 684 C LYS A 48 -4.698 -0.288 -11.508 1.00 0.00 C ATOM 685 O LYS A 48 -4.059 -0.463 -10.470 1.00 0.00 O ATOM 686 CB LYS A 48 -4.781 -2.333 -12.946 1.00 0.00 C ATOM 687 CG LYS A 48 -4.509 -2.976 -14.295 1.00 0.00 C ATOM 688 CD LYS A 48 -5.073 -4.385 -14.365 1.00 0.00 C ATOM 689 CE LYS A 48 -4.170 -5.383 -13.655 1.00 0.00 C ATOM 690 NZ LYS A 48 -3.015 -5.786 -14.504 1.00 0.00 N ATOM 0 H LYS A 48 -2.304 -1.011 -12.066 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.661 -0.302 -13.646 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.327 -2.942 -12.164 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.856 -2.330 -12.764 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.949 -2.367 -15.085 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.434 -3.004 -14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.065 -4.404 -13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.193 -4.679 -15.408 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.803 -4.945 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.748 -6.267 -13.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.613 -6.675 -14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.335 -5.922 -15.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.289 -5.042 -14.478 1.00 0.00 H new ATOM 704 N PRO A 49 -5.819 0.446 -11.543 1.00 0.00 N ATOM 705 CA PRO A 49 -6.375 1.098 -10.353 1.00 0.00 C ATOM 706 C PRO A 49 -6.946 0.096 -9.356 1.00 0.00 C ATOM 707 O PRO A 49 -8.041 -0.433 -9.549 1.00 0.00 O ATOM 708 CB PRO A 49 -7.490 1.981 -10.921 1.00 0.00 C ATOM 709 CG PRO A 49 -7.885 1.319 -12.196 1.00 0.00 C ATOM 710 CD PRO A 49 -6.631 0.696 -12.745 1.00 0.00 C ATOM 0 HA PRO A 49 -5.616 1.649 -9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.332 2.048 -10.232 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.139 2.998 -11.095 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.652 0.564 -12.023 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.302 2.041 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.844 -0.227 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.123 1.363 -13.442 1.00 0.00 H new ATOM 718 N VAL A 50 -6.197 -0.162 -8.288 1.00 0.00 N ATOM 719 CA VAL A 50 -6.629 -1.100 -7.259 1.00 0.00 C ATOM 720 C VAL A 50 -7.713 -0.489 -6.379 1.00 0.00 C ATOM 721 O VAL A 50 -7.536 0.593 -5.819 1.00 0.00 O ATOM 722 CB VAL A 50 -5.451 -1.542 -6.372 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.741 -0.331 -5.784 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.933 -2.474 -5.271 1.00 0.00 C ATOM 0 H VAL A 50 -5.288 0.266 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.032 -1.972 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.738 -2.087 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.911 -0.663 -5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.360 0.295 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.442 0.244 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.087 -2.776 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.667 -1.957 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.391 -3.357 -5.716 1.00 0.00 H new ATOM 734 N ARG A 51 -8.836 -1.190 -6.259 1.00 0.00 N ATOM 735 CA ARG A 51 -9.950 -0.716 -5.447 1.00 0.00 C ATOM 736 C ARG A 51 -10.134 -1.593 -4.212 1.00 0.00 C ATOM 737 O ARG A 51 -9.927 -2.807 -4.246 1.00 0.00 O ATOM 738 CB ARG A 51 -11.239 -0.698 -6.271 1.00 0.00 C ATOM 739 CG ARG A 51 -11.652 -2.068 -6.783 1.00 0.00 C ATOM 740 CD ARG A 51 -13.146 -2.131 -7.060 1.00 0.00 C ATOM 741 NE ARG A 51 -13.491 -1.525 -8.343 1.00 0.00 N ATOM 742 CZ ARG A 51 -14.735 -1.426 -8.799 1.00 0.00 C ATOM 743 NH1 ARG A 51 -15.747 -1.890 -8.079 1.00 0.00 N ATOM 744 NH2 ARG A 51 -14.969 -0.861 -9.976 1.00 0.00 N ATOM 0 H ARG A 51 -8.998 -2.088 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.723 0.299 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.045 -0.289 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.109 -0.026 -7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.102 -2.298 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.384 -2.828 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.473 -3.171 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.685 -1.621 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.735 -1.157 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.571 -2.324 -7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.701 -1.813 -8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.193 -0.502 -10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -15.925 -0.786 -10.325 1.00 0.00 H new ATOM 758 N PRO A 52 -10.533 -0.968 -3.095 1.00 0.00 N ATOM 759 CA PRO A 52 -10.754 -1.672 -1.829 1.00 0.00 C ATOM 760 C PRO A 52 -11.980 -2.578 -1.876 1.00 0.00 C ATOM 761 O PRO A 52 -13.063 -2.152 -2.277 1.00 0.00 O ATOM 762 CB PRO A 52 -10.967 -0.538 -0.824 1.00 0.00 C ATOM 763 CG PRO A 52 -11.467 0.603 -1.641 1.00 0.00 C ATOM 764 CD PRO A 52 -10.799 0.476 -2.982 1.00 0.00 C ATOM 0 HA PRO A 52 -9.922 -2.331 -1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.687 -0.820 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.039 -0.282 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.552 0.566 -1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.222 1.556 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.443 0.830 -3.787 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.879 1.059 -3.030 1.00 0.00 H new ATOM 772 N ASP A 53 -11.802 -3.829 -1.464 1.00 0.00 N ATOM 773 CA ASP A 53 -12.894 -4.795 -1.458 1.00 0.00 C ATOM 774 C ASP A 53 -12.903 -5.597 -0.161 1.00 0.00 C ATOM 775 O ASP A 53 -12.090 -5.361 0.732 1.00 0.00 O ATOM 776 CB ASP A 53 -12.775 -5.739 -2.655 1.00 0.00 C ATOM 777 CG ASP A 53 -14.106 -6.351 -3.045 1.00 0.00 C ATOM 778 OD1 ASP A 53 -15.000 -5.596 -3.482 1.00 0.00 O ATOM 779 OD2 ASP A 53 -14.255 -7.584 -2.913 1.00 0.00 O ATOM 0 H ASP A 53 -10.911 -4.197 -1.130 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.833 -4.245 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.367 -5.193 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.068 -6.534 -2.418 1.00 0.00 H new ATOM 784 N SER A 54 -13.830 -6.545 -0.063 1.00 0.00 N ATOM 785 CA SER A 54 -13.948 -7.378 1.127 1.00 0.00 C ATOM 786 C SER A 54 -12.576 -7.845 1.602 1.00 0.00 C ATOM 787 O SER A 54 -12.375 -8.115 2.786 1.00 0.00 O ATOM 788 CB SER A 54 -14.840 -8.588 0.842 1.00 0.00 C ATOM 789 OG SER A 54 -16.157 -8.184 0.507 1.00 0.00 O ATOM 0 H SER A 54 -14.510 -6.755 -0.794 1.00 0.00 H new ATOM 0 HA SER A 54 -14.402 -6.778 1.916 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.416 -9.171 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.867 -9.238 1.717 1.00 0.00 H new ATOM 0 HG SER A 54 -16.706 -8.976 0.328 1.00 0.00 H new ATOM 795 N ALA A 55 -11.634 -7.937 0.670 1.00 0.00 N ATOM 796 CA ALA A 55 -10.279 -8.369 0.992 1.00 0.00 C ATOM 797 C ALA A 55 -9.337 -7.176 1.114 1.00 0.00 C ATOM 798 O ALA A 55 -8.598 -7.053 2.092 1.00 0.00 O ATOM 799 CB ALA A 55 -9.770 -9.340 -0.063 1.00 0.00 C ATOM 0 H ALA A 55 -11.784 -7.718 -0.315 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.306 -8.878 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.757 -9.654 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.422 -10.213 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.765 -8.850 -1.037 1.00 0.00 H new ATOM 805 N HIS A 56 -9.368 -6.299 0.116 1.00 0.00 N ATOM 806 CA HIS A 56 -8.516 -5.115 0.112 1.00 0.00 C ATOM 807 C HIS A 56 -9.168 -3.973 0.887 1.00 0.00 C ATOM 808 O HIS A 56 -10.189 -3.427 0.467 1.00 0.00 O ATOM 809 CB HIS A 56 -8.227 -4.673 -1.322 1.00 0.00 C ATOM 810 CG HIS A 56 -7.870 -5.804 -2.237 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.802 -6.686 -2.742 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.675 -6.193 -2.739 1.00 0.00 C ATOM 813 CE1 HIS A 56 -8.195 -7.570 -3.514 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.904 -7.293 -3.529 1.00 0.00 N ATOM 0 H HIS A 56 -9.974 -6.386 -0.700 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.577 -5.373 0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.102 -4.158 -1.718 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.410 -3.952 -1.313 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.719 -5.726 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.673 -8.381 -4.043 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.192 -7.812 -4.044 1.00 0.00 H new ATOM 822 N LYS A 57 -8.574 -3.618 2.021 1.00 0.00 N ATOM 823 CA LYS A 57 -9.095 -2.542 2.855 1.00 0.00 C ATOM 824 C LYS A 57 -8.076 -1.416 2.991 1.00 0.00 C ATOM 825 O LYS A 57 -7.012 -1.598 3.582 1.00 0.00 O ATOM 826 CB LYS A 57 -9.468 -3.077 4.239 1.00 0.00 C ATOM 827 CG LYS A 57 -10.069 -2.026 5.156 1.00 0.00 C ATOM 828 CD LYS A 57 -10.804 -2.660 6.326 1.00 0.00 C ATOM 829 CE LYS A 57 -9.835 -3.167 7.383 1.00 0.00 C ATOM 830 NZ LYS A 57 -9.342 -4.537 7.072 1.00 0.00 N ATOM 0 H LYS A 57 -7.730 -4.061 2.384 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.988 -2.143 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.179 -3.895 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.577 -3.492 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.279 -1.375 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.757 -1.399 4.590 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.480 -1.930 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.418 -3.486 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.988 -2.484 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.327 -3.170 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.277 -5.090 7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.002 -5.003 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.402 -4.476 6.631 1.00 0.00 H new ATOM 844 N MET A 58 -8.409 -0.253 2.441 1.00 0.00 N ATOM 845 CA MET A 58 -7.522 0.903 2.504 1.00 0.00 C ATOM 846 C MET A 58 -7.974 1.876 3.589 1.00 0.00 C ATOM 847 O MET A 58 -9.168 2.138 3.744 1.00 0.00 O ATOM 848 CB MET A 58 -7.479 1.614 1.150 1.00 0.00 C ATOM 849 CG MET A 58 -6.637 0.892 0.111 1.00 0.00 C ATOM 850 SD MET A 58 -7.322 -0.713 -0.344 1.00 0.00 S ATOM 851 CE MET A 58 -7.505 -0.513 -2.115 1.00 0.00 C ATOM 0 H MET A 58 -9.286 -0.086 1.947 1.00 0.00 H new ATOM 0 HA MET A 58 -6.521 0.549 2.752 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.496 1.720 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.085 2.620 1.290 1.00 0.00 H new ATOM 0 HG2 MET A 58 -6.555 1.514 -0.781 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.627 0.755 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.985 -1.398 -2.533 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.119 0.364 -2.321 1.00 0.00 H new ATOM 0 HE3 MET A 58 -6.523 -0.384 -2.570 1.00 0.00 H new ATOM 861 N LEU A 59 -7.014 2.410 4.336 1.00 0.00 N ATOM 862 CA LEU A 59 -7.314 3.354 5.407 1.00 0.00 C ATOM 863 C LEU A 59 -6.760 4.738 5.083 1.00 0.00 C ATOM 864 O LEU A 59 -5.858 4.880 4.257 1.00 0.00 O ATOM 865 CB LEU A 59 -6.731 2.856 6.731 1.00 0.00 C ATOM 866 CG LEU A 59 -7.636 1.945 7.561 1.00 0.00 C ATOM 867 CD1 LEU A 59 -7.588 0.520 7.031 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.231 1.984 9.027 1.00 0.00 C ATOM 0 H LEU A 59 -6.021 2.206 4.220 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.397 3.429 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.806 2.320 6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.466 3.722 7.337 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.660 2.308 7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.238 -0.114 7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.926 0.506 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.565 0.146 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.886 1.330 9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.200 1.646 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.317 3.004 9.401 1.00 0.00 H new ATOM 880 N VAL A 60 -7.304 5.757 5.741 1.00 0.00 N ATOM 881 CA VAL A 60 -6.862 7.129 5.525 1.00 0.00 C ATOM 882 C VAL A 60 -6.722 7.875 6.848 1.00 0.00 C ATOM 883 O VAL A 60 -7.667 7.949 7.633 1.00 0.00 O ATOM 884 CB VAL A 60 -7.840 7.898 4.616 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.394 9.343 4.453 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.959 7.212 3.263 1.00 0.00 C ATOM 0 H VAL A 60 -8.051 5.658 6.428 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.889 7.075 5.036 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.823 7.898 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.097 9.870 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.364 9.827 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.401 9.369 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.654 7.768 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.980 7.180 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.328 6.196 3.401 1.00 0.00 H new ATOM 896 N ARG A 61 -5.538 8.428 7.086 1.00 0.00 N ATOM 897 CA ARG A 61 -5.273 9.168 8.314 1.00 0.00 C ATOM 898 C ARG A 61 -5.344 10.673 8.068 1.00 0.00 C ATOM 899 O ARG A 61 -5.204 11.133 6.935 1.00 0.00 O ATOM 900 CB ARG A 61 -3.899 8.797 8.873 1.00 0.00 C ATOM 901 CG ARG A 61 -3.653 7.298 8.940 1.00 0.00 C ATOM 902 CD ARG A 61 -4.622 6.617 9.893 1.00 0.00 C ATOM 903 NE ARG A 61 -4.141 6.640 11.272 1.00 0.00 N ATOM 904 CZ ARG A 61 -4.807 6.110 12.292 1.00 0.00 C ATOM 905 NH1 ARG A 61 -5.977 5.520 12.089 1.00 0.00 N ATOM 906 NH2 ARG A 61 -4.304 6.171 13.518 1.00 0.00 N ATOM 0 H ARG A 61 -4.746 8.378 6.445 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.038 8.899 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.128 9.256 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.797 9.218 9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.756 6.866 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.629 7.110 9.264 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.592 7.112 9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.773 5.584 9.579 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.244 7.088 11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.368 5.472 11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.486 5.114 12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.405 6.625 13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.816 5.764 14.300 1.00 0.00 H new ATOM 920 N GLU A 62 -5.564 11.432 9.137 1.00 0.00 N ATOM 921 CA GLU A 62 -5.655 12.884 9.035 1.00 0.00 C ATOM 922 C GLU A 62 -4.288 13.496 8.744 1.00 0.00 C ATOM 923 O GLU A 62 -4.035 13.981 7.643 1.00 0.00 O ATOM 924 CB GLU A 62 -6.226 13.473 10.327 1.00 0.00 C ATOM 925 CG GLU A 62 -6.676 14.918 10.191 1.00 0.00 C ATOM 926 CD GLU A 62 -7.861 15.074 9.258 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.734 14.181 9.253 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.915 16.090 8.534 1.00 0.00 O ATOM 0 H GLU A 62 -5.682 11.066 10.082 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.324 13.124 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.072 12.867 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.471 13.409 11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.939 15.307 11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.846 15.520 9.822 1.00 0.00 H new ATOM 935 N ASN A 63 -3.410 13.469 9.742 1.00 0.00 N ATOM 936 CA ASN A 63 -2.069 14.022 9.595 1.00 0.00 C ATOM 937 C ASN A 63 -1.539 13.795 8.182 1.00 0.00 C ATOM 938 O ASN A 63 -1.026 14.714 7.545 1.00 0.00 O ATOM 939 CB ASN A 63 -1.119 13.391 10.615 1.00 0.00 C ATOM 940 CG ASN A 63 -1.473 13.764 12.042 1.00 0.00 C ATOM 941 OD1 ASN A 63 -1.916 14.881 12.312 1.00 0.00 O ATOM 942 ND2 ASN A 63 -1.277 12.829 12.964 1.00 0.00 N ATOM 0 H ASN A 63 -3.603 13.070 10.661 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.124 15.095 9.776 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.144 12.306 10.509 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.098 13.708 10.402 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.496 13.023 13.941 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.908 11.917 12.695 1.00 0.00 H new ATOM 949 N GLY A 64 -1.668 12.564 7.698 1.00 0.00 N ATOM 950 CA GLY A 64 -1.198 12.238 6.364 1.00 0.00 C ATOM 951 C GLY A 64 -0.529 10.879 6.301 1.00 0.00 C ATOM 952 O GLY A 64 0.684 10.784 6.116 1.00 0.00 O ATOM 0 H GLY A 64 -2.090 11.786 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.039 12.258 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.494 13.002 6.033 1.00 0.00 H new ATOM 956 N VAL A 65 -1.322 9.823 6.457 1.00 0.00 N ATOM 957 CA VAL A 65 -0.799 8.463 6.417 1.00 0.00 C ATOM 958 C VAL A 65 -1.803 7.506 5.784 1.00 0.00 C ATOM 959 O VAL A 65 -3.015 7.686 5.914 1.00 0.00 O ATOM 960 CB VAL A 65 -0.443 7.957 7.827 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.398 6.436 7.854 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.883 8.545 8.285 1.00 0.00 C ATOM 0 H VAL A 65 -2.328 9.884 6.612 1.00 0.00 H new ATOM 0 HA VAL A 65 0.106 8.490 5.809 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.219 8.286 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.145 6.097 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.373 6.038 7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.356 6.082 7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.119 8.177 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.671 8.248 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.811 9.632 8.307 1.00 0.00 H new ATOM 972 N HIS A 66 -1.292 6.488 5.099 1.00 0.00 N ATOM 973 CA HIS A 66 -2.145 5.501 4.446 1.00 0.00 C ATOM 974 C HIS A 66 -1.680 4.084 4.768 1.00 0.00 C ATOM 975 O HIS A 66 -0.511 3.859 5.079 1.00 0.00 O ATOM 976 CB HIS A 66 -2.146 5.718 2.933 1.00 0.00 C ATOM 977 CG HIS A 66 -3.208 6.665 2.465 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.295 7.972 2.897 1.00 0.00 N ATOM 979 CD2 HIS A 66 -4.230 6.489 1.595 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.326 8.558 2.315 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.910 7.680 1.519 1.00 0.00 N ATOM 0 H HIS A 66 -0.292 6.325 4.982 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.160 5.627 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.171 6.099 2.628 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.283 4.757 2.436 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.467 5.581 1.060 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.638 9.581 2.464 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.732 7.858 0.942 1.00 0.00 H new ATOM 989 N SER A 67 -2.605 3.132 4.693 1.00 0.00 N ATOM 990 CA SER A 67 -2.291 1.737 4.981 1.00 0.00 C ATOM 991 C SER A 67 -3.120 0.802 4.105 1.00 0.00 C ATOM 992 O SER A 67 -4.347 0.891 4.069 1.00 0.00 O ATOM 993 CB SER A 67 -2.545 1.430 6.458 1.00 0.00 C ATOM 994 OG SER A 67 -1.904 2.377 7.294 1.00 0.00 O ATOM 0 H SER A 67 -3.577 3.301 4.435 1.00 0.00 H new ATOM 0 HA SER A 67 -1.236 1.574 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.617 1.434 6.654 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.182 0.429 6.692 1.00 0.00 H new ATOM 0 HG SER A 67 -2.083 2.159 8.233 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.439 -0.095 3.400 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.110 -1.049 2.524 1.00 0.00 C ATOM 1002 C LEU A 68 -3.115 -2.444 3.139 1.00 0.00 C ATOM 1003 O LEU A 68 -2.082 -3.112 3.194 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.426 -1.084 1.156 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.996 -2.079 0.145 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.374 -1.635 -0.321 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.054 -2.234 -1.040 1.00 0.00 C ATOM 0 H LEU A 68 -1.423 -0.182 3.418 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.143 -0.725 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.477 -0.086 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.371 -1.313 1.306 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.095 -3.048 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.764 -2.355 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.046 -1.576 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.300 -0.655 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.476 -2.946 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.923 -1.269 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.088 -2.598 -0.691 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.284 -2.879 3.598 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.423 -4.196 4.205 1.00 0.00 C ATOM 1021 C ILE A 69 -5.066 -5.184 3.237 1.00 0.00 C ATOM 1022 O ILE A 69 -6.052 -4.864 2.573 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.266 -4.136 5.493 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.477 -3.454 6.613 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.691 -5.535 5.914 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -5.347 -2.949 7.743 1.00 0.00 C ATOM 0 H ILE A 69 -5.148 -2.338 3.561 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.417 -4.536 4.453 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.163 -3.549 5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.748 -4.158 7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.917 -2.618 6.195 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.286 -5.476 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.286 -5.989 5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.806 -6.144 6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.722 -2.477 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.060 -2.221 7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.888 -3.785 8.187 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.501 -6.384 3.163 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.021 -7.419 2.277 1.00 0.00 C ATOM 1040 C ILE A 70 -5.170 -8.747 3.012 1.00 0.00 C ATOM 1041 O ILE A 70 -4.181 -9.358 3.415 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.109 -7.622 1.053 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.712 -6.271 0.455 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.807 -8.484 0.011 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.856 -6.387 -0.786 1.00 0.00 C ATOM 0 H ILE A 70 -3.684 -6.664 3.705 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.001 -7.082 1.938 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.203 -8.136 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.615 -5.711 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.172 -5.695 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.150 -8.619 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.044 -9.456 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.727 -7.995 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.613 -5.391 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.936 -6.919 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.401 -6.935 -1.554 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.413 -9.187 3.181 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.691 -10.444 3.867 1.00 0.00 C ATOM 1059 C GLU A 71 -8.033 -11.020 3.424 1.00 0.00 C ATOM 1060 O GLU A 71 -9.078 -10.380 3.533 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.689 -10.235 5.383 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.244 -11.459 6.165 1.00 0.00 C ATOM 1063 CD GLU A 71 -6.726 -11.439 7.603 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -7.040 -10.342 8.109 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -6.789 -12.522 8.221 1.00 0.00 O ATOM 0 H GLU A 71 -7.243 -8.693 2.853 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.906 -11.153 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.031 -9.400 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.692 -9.954 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.619 -12.356 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.156 -11.519 6.151 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.003 -12.259 2.910 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.764 -13.030 2.775 1.00 0.00 C ATOM 1074 C PRO A 72 -5.840 -12.459 1.704 1.00 0.00 C ATOM 1075 O PRO A 72 -6.009 -11.321 1.267 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.256 -14.422 2.369 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.573 -14.183 1.716 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.177 -13.001 2.422 1.00 0.00 C ATOM 0 HA PRO A 72 -6.176 -13.021 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.557 -14.905 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.357 -15.075 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.450 -13.981 0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.216 -15.059 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.783 -12.396 1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.826 -13.311 3.241 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.862 -13.257 1.286 1.00 0.00 N ATOM 1087 CA VAL A 73 -3.912 -12.831 0.266 1.00 0.00 C ATOM 1088 C VAL A 73 -3.828 -13.849 -0.866 1.00 0.00 C ATOM 1089 O VAL A 73 -3.669 -15.047 -0.629 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.506 -12.623 0.860 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.454 -12.648 -0.238 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.445 -11.318 1.639 1.00 0.00 C ATOM 0 H VAL A 73 -4.707 -14.202 1.638 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.276 -11.882 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.297 -13.441 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.467 -12.499 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.483 -13.611 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.657 -11.852 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.445 -11.187 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.675 -10.486 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.172 -11.345 2.451 1.00 0.00 H new ATOM 1102 N THR A 74 -3.936 -13.365 -2.099 1.00 0.00 N ATOM 1103 CA THR A 74 -3.873 -14.232 -3.269 1.00 0.00 C ATOM 1104 C THR A 74 -2.584 -14.008 -4.051 1.00 0.00 C ATOM 1105 O THR A 74 -1.876 -13.026 -3.830 1.00 0.00 O ATOM 1106 CB THR A 74 -5.074 -14.001 -4.205 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.072 -12.650 -4.680 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.384 -14.289 -3.487 1.00 0.00 C ATOM 0 H THR A 74 -4.068 -12.377 -2.313 1.00 0.00 H new ATOM 0 HA THR A 74 -3.899 -15.258 -2.903 1.00 0.00 H new ATOM 0 HB THR A 74 -4.984 -14.683 -5.050 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.838 -12.512 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.217 -14.119 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.395 -15.326 -3.152 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.479 -13.629 -2.625 1.00 0.00 H new ATOM 1116 N SER A 75 -2.284 -14.926 -4.965 1.00 0.00 N ATOM 1117 CA SER A 75 -1.078 -14.830 -5.778 1.00 0.00 C ATOM 1118 C SER A 75 -1.144 -13.622 -6.708 1.00 0.00 C ATOM 1119 O SER A 75 -0.129 -13.192 -7.257 1.00 0.00 O ATOM 1120 CB SER A 75 -0.885 -16.108 -6.596 1.00 0.00 C ATOM 1121 OG SER A 75 0.488 -16.348 -6.852 1.00 0.00 O ATOM 0 H SER A 75 -2.860 -15.745 -5.161 1.00 0.00 H new ATOM 0 HA SER A 75 -0.227 -14.705 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.311 -16.955 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.425 -16.025 -7.539 1.00 0.00 H new ATOM 0 HG SER A 75 0.584 -17.171 -7.375 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.345 -13.079 -6.878 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.545 -11.922 -7.742 1.00 0.00 C ATOM 1129 C ARG A 76 -2.170 -10.632 -7.018 1.00 0.00 C ATOM 1130 O ARG A 76 -1.934 -9.601 -7.648 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.000 -11.853 -8.210 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.263 -12.616 -9.498 1.00 0.00 C ATOM 1133 CD ARG A 76 -5.715 -12.492 -9.932 1.00 0.00 C ATOM 1134 NE ARG A 76 -5.972 -11.238 -10.634 1.00 0.00 N ATOM 1135 CZ ARG A 76 -7.190 -10.778 -10.897 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -8.258 -11.467 -10.517 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -7.342 -9.628 -11.540 1.00 0.00 N ATOM 0 H ARG A 76 -3.194 -13.422 -6.429 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.896 -12.032 -8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.644 -12.249 -7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.277 -10.809 -8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.613 -12.237 -10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.013 -13.667 -9.357 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.972 -13.330 -10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.362 -12.556 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.172 -10.684 -10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.145 -12.352 -10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.193 -11.112 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.523 -9.096 -11.833 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.278 -9.276 -11.741 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.118 -10.698 -5.693 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.771 -9.536 -4.883 1.00 0.00 C ATOM 1153 C ASP A 77 -0.277 -9.238 -4.970 1.00 0.00 C ATOM 1154 O ASP A 77 0.162 -8.127 -4.677 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.173 -9.765 -3.425 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.632 -9.443 -3.169 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -4.162 -8.525 -3.831 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.245 -10.108 -2.309 1.00 0.00 O ATOM 0 H ASP A 77 -2.312 -11.544 -5.156 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.318 -8.677 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.981 -10.804 -3.157 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.549 -9.148 -2.778 1.00 0.00 H new ATOM 1163 N ALA A 78 0.498 -10.239 -5.375 1.00 0.00 N ATOM 1164 CA ALA A 78 1.941 -10.084 -5.502 1.00 0.00 C ATOM 1165 C ALA A 78 2.304 -9.357 -6.792 1.00 0.00 C ATOM 1166 O ALA A 78 1.729 -9.622 -7.848 1.00 0.00 O ATOM 1167 CB ALA A 78 2.624 -11.443 -5.449 1.00 0.00 C ATOM 0 H ALA A 78 0.150 -11.166 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 78 2.292 -9.480 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.702 -11.312 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.400 -11.926 -4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.260 -12.065 -6.266 1.00 0.00 H new ATOM 1173 N GLY A 79 3.262 -8.439 -6.700 1.00 0.00 N ATOM 1174 CA GLY A 79 3.684 -7.688 -7.868 1.00 0.00 C ATOM 1175 C GLY A 79 4.352 -6.377 -7.503 1.00 0.00 C ATOM 1176 O GLY A 79 4.915 -6.241 -6.417 1.00 0.00 O ATOM 0 H GLY A 79 3.753 -8.202 -5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.375 -8.293 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.819 -7.488 -8.500 1.00 0.00 H new ATOM 1180 N ILE A 80 4.290 -5.410 -8.413 1.00 0.00 N ATOM 1181 CA ILE A 80 4.894 -4.104 -8.181 1.00 0.00 C ATOM 1182 C ILE A 80 3.828 -3.037 -7.960 1.00 0.00 C ATOM 1183 O ILE A 80 3.085 -2.687 -8.878 1.00 0.00 O ATOM 1184 CB ILE A 80 5.791 -3.682 -9.360 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.772 -4.803 -9.710 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.540 -2.401 -9.023 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.776 -5.091 -8.615 1.00 0.00 C ATOM 0 H ILE A 80 3.828 -5.507 -9.317 1.00 0.00 H new ATOM 0 HA ILE A 80 5.506 -4.194 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 80 5.160 -3.493 -10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.211 -5.712 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.307 -4.535 -10.621 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.170 -2.115 -9.866 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.825 -1.604 -8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.163 -2.564 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.439 -5.896 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.363 -4.195 -8.415 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.250 -5.390 -7.708 1.00 0.00 H new ATOM 1199 N TYR A 81 3.760 -2.521 -6.738 1.00 0.00 N ATOM 1200 CA TYR A 81 2.785 -1.493 -6.396 1.00 0.00 C ATOM 1201 C TYR A 81 3.342 -0.100 -6.671 1.00 0.00 C ATOM 1202 O TYR A 81 4.268 0.356 -5.999 1.00 0.00 O ATOM 1203 CB TYR A 81 2.382 -1.612 -4.925 1.00 0.00 C ATOM 1204 CG TYR A 81 1.432 -2.755 -4.648 1.00 0.00 C ATOM 1205 CD1 TYR A 81 0.056 -2.577 -4.733 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.909 -4.012 -4.300 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -0.816 -3.618 -4.480 1.00 0.00 C ATOM 1208 CE2 TYR A 81 1.045 -5.060 -4.047 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.317 -4.858 -4.138 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.181 -5.898 -3.885 1.00 0.00 O ATOM 0 H TYR A 81 4.369 -2.798 -5.968 1.00 0.00 H new ATOM 0 HA TYR A 81 1.904 -1.642 -7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.280 -1.742 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.917 -0.679 -4.608 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.338 -1.608 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.974 -4.173 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.882 -3.462 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.433 -6.032 -3.780 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.736 -6.749 -4.082 1.00 0.00 H new ATOM 1220 N THR A 82 2.771 0.574 -7.665 1.00 0.00 N ATOM 1221 CA THR A 82 3.209 1.915 -8.031 1.00 0.00 C ATOM 1222 C THR A 82 2.226 2.969 -7.535 1.00 0.00 C ATOM 1223 O THR A 82 1.194 3.212 -8.161 1.00 0.00 O ATOM 1224 CB THR A 82 3.371 2.056 -9.556 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.067 0.921 -10.083 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.129 3.328 -9.904 1.00 0.00 C ATOM 0 H THR A 82 2.004 0.212 -8.231 1.00 0.00 H new ATOM 0 HA THR A 82 4.177 2.073 -7.555 1.00 0.00 H new ATOM 0 HB THR A 82 2.377 2.110 -10.001 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.164 1.018 -11.053 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.231 3.406 -10.986 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.581 4.192 -9.528 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.118 3.298 -9.447 1.00 0.00 H new ATOM 1234 N CYS A 83 2.553 3.593 -6.409 1.00 0.00 N ATOM 1235 CA CYS A 83 1.698 4.622 -5.829 1.00 0.00 C ATOM 1236 C CYS A 83 2.196 6.015 -6.200 1.00 0.00 C ATOM 1237 O CYS A 83 3.401 6.250 -6.293 1.00 0.00 O ATOM 1238 CB CYS A 83 1.646 4.474 -4.308 1.00 0.00 C ATOM 1239 SG CYS A 83 1.105 5.965 -3.439 1.00 0.00 S ATOM 0 H CYS A 83 3.404 3.404 -5.880 1.00 0.00 H new ATOM 0 HA CYS A 83 0.694 4.495 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.972 3.655 -4.056 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.636 4.195 -3.947 1.00 0.00 H new ATOM 0 HG CYS A 83 2.117 6.498 -2.821 1.00 0.00 H new ATOM 1245 N ILE A 84 1.261 6.935 -6.413 1.00 0.00 N ATOM 1246 CA ILE A 84 1.605 8.304 -6.775 1.00 0.00 C ATOM 1247 C ILE A 84 0.890 9.306 -5.875 1.00 0.00 C ATOM 1248 O ILE A 84 -0.336 9.406 -5.891 1.00 0.00 O ATOM 1249 CB ILE A 84 1.249 8.605 -8.243 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.904 7.578 -9.169 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.683 10.015 -8.615 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.135 6.280 -9.273 1.00 0.00 C ATOM 0 H ILE A 84 0.259 6.757 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 84 2.682 8.404 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 84 0.168 8.536 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.006 8.011 -10.164 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.911 7.366 -8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.425 10.213 -9.655 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.175 10.734 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.761 10.110 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.658 5.600 -9.946 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.055 5.824 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.137 6.479 -9.662 1.00 0.00 H new ATOM 1264 N ALA A 85 1.666 10.048 -5.092 1.00 0.00 N ATOM 1265 CA ALA A 85 1.108 11.046 -4.188 1.00 0.00 C ATOM 1266 C ALA A 85 1.132 12.434 -4.820 1.00 0.00 C ATOM 1267 O ALA A 85 2.198 12.975 -5.116 1.00 0.00 O ATOM 1268 CB ALA A 85 1.870 11.051 -2.871 1.00 0.00 C ATOM 0 H ALA A 85 2.683 9.977 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 85 0.069 10.782 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.442 11.801 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.797 10.069 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.918 11.287 -3.058 1.00 0.00 H new ATOM 1274 N THR A 86 -0.050 13.007 -5.025 1.00 0.00 N ATOM 1275 CA THR A 86 -0.165 14.331 -5.623 1.00 0.00 C ATOM 1276 C THR A 86 -0.723 15.339 -4.625 1.00 0.00 C ATOM 1277 O THR A 86 -1.857 15.209 -4.167 1.00 0.00 O ATOM 1278 CB THR A 86 -1.067 14.307 -6.871 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.931 13.054 -7.550 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.713 15.444 -7.817 1.00 0.00 C ATOM 0 H THR A 86 -0.942 12.574 -4.785 1.00 0.00 H new ATOM 0 HA THR A 86 0.840 14.634 -5.916 1.00 0.00 H new ATOM 0 HB THR A 86 -2.100 14.434 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.509 13.046 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.363 15.406 -8.691 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.847 16.397 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.325 15.344 -8.133 1.00 0.00 H new ATOM 1288 N ASN A 87 0.081 16.343 -4.293 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.334 17.375 -3.349 1.00 0.00 C ATOM 1290 C ASN A 87 -0.349 18.747 -4.014 1.00 0.00 C ATOM 1291 O ASN A 87 -0.104 18.869 -5.215 1.00 0.00 O ATOM 1292 CB ASN A 87 0.601 17.392 -2.138 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.085 17.902 -0.885 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.312 17.988 -0.827 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.706 18.244 0.125 1.00 0.00 N ATOM 0 H ASN A 87 1.024 16.465 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.345 17.143 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.977 16.385 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.464 18.020 -2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.302 18.595 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.718 18.156 0.033 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.636 19.778 -3.226 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.683 21.142 -3.738 1.00 0.00 C ATOM 1304 C ARG A 88 0.701 21.603 -4.185 1.00 0.00 C ATOM 1305 O ARG A 88 0.831 22.397 -5.116 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.228 22.092 -2.671 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.758 23.401 -3.233 1.00 0.00 C ATOM 1308 CD ARG A 88 -0.670 24.463 -3.292 1.00 0.00 C ATOM 1309 NE ARG A 88 -1.156 25.712 -3.872 1.00 0.00 N ATOM 1310 CZ ARG A 88 -0.363 26.725 -4.204 1.00 0.00 C ATOM 1311 NH1 ARG A 88 0.946 26.636 -4.015 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -0.880 27.829 -4.728 1.00 0.00 N ATOM 0 H ARG A 88 -0.840 19.694 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.348 21.156 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.027 21.591 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.438 22.309 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.159 23.233 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.582 23.757 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.293 24.652 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.168 24.091 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.159 25.812 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.347 25.788 -3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.552 27.415 -4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.887 27.900 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.271 28.606 -4.983 1.00 0.00 H new ATOM 1326 N ALA A 89 1.732 21.100 -3.514 1.00 0.00 N ATOM 1327 CA ALA A 89 3.106 21.458 -3.843 1.00 0.00 C ATOM 1328 C ALA A 89 3.555 20.786 -5.136 1.00 0.00 C ATOM 1329 O ALA A 89 4.009 21.449 -6.067 1.00 0.00 O ATOM 1330 CB ALA A 89 4.038 21.083 -2.700 1.00 0.00 C ATOM 0 H ALA A 89 1.641 20.443 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 89 3.147 22.537 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.061 21.356 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.739 21.615 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.983 20.009 -2.523 1.00 0.00 H new ATOM 1336 N GLY A 90 3.424 19.464 -5.187 1.00 0.00 N ATOM 1337 CA GLY A 90 3.821 18.724 -6.370 1.00 0.00 C ATOM 1338 C GLY A 90 3.279 17.308 -6.379 1.00 0.00 C ATOM 1339 O GLY A 90 2.162 17.063 -5.922 1.00 0.00 O ATOM 0 H GLY A 90 3.050 18.892 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.470 19.250 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.909 18.693 -6.427 1.00 0.00 H new ATOM 1343 N GLN A 91 4.070 16.376 -6.900 1.00 0.00 N ATOM 1344 CA GLN A 91 3.660 14.978 -6.967 1.00 0.00 C ATOM 1345 C GLN A 91 4.870 14.052 -6.890 1.00 0.00 C ATOM 1346 O GLN A 91 5.967 14.412 -7.316 1.00 0.00 O ATOM 1347 CB GLN A 91 2.882 14.714 -8.257 1.00 0.00 C ATOM 1348 CG GLN A 91 2.606 13.241 -8.511 1.00 0.00 C ATOM 1349 CD GLN A 91 3.764 12.539 -9.191 1.00 0.00 C ATOM 1350 OE1 GLN A 91 4.370 11.627 -8.627 1.00 0.00 O ATOM 1351 NE2 GLN A 91 4.079 12.960 -10.411 1.00 0.00 N ATOM 0 H GLN A 91 4.997 16.563 -7.282 1.00 0.00 H new ATOM 0 HA GLN A 91 3.014 14.773 -6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.934 15.251 -8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.442 15.120 -9.099 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.392 12.747 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.714 13.144 -9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.550 13.719 -10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.850 12.524 -10.918 1.00 0.00 H new ATOM 1360 N ASN A 92 4.661 12.858 -6.345 1.00 0.00 N ATOM 1361 CA ASN A 92 5.735 11.881 -6.212 1.00 0.00 C ATOM 1362 C ASN A 92 5.201 10.460 -6.368 1.00 0.00 C ATOM 1363 O ASN A 92 3.992 10.232 -6.316 1.00 0.00 O ATOM 1364 CB ASN A 92 6.425 12.032 -4.855 1.00 0.00 C ATOM 1365 CG ASN A 92 7.829 11.457 -4.852 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.595 11.656 -5.795 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.172 10.739 -3.789 1.00 0.00 N ATOM 0 H ASN A 92 3.758 12.544 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 92 6.461 12.066 -7.004 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.467 13.088 -4.588 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.830 11.533 -4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.103 10.327 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.504 10.600 -3.030 1.00 0.00 H new ATOM 1374 N SER A 93 6.110 9.509 -6.558 1.00 0.00 N ATOM 1375 CA SER A 93 5.730 8.111 -6.725 1.00 0.00 C ATOM 1376 C SER A 93 6.802 7.186 -6.157 1.00 0.00 C ATOM 1377 O SER A 93 7.938 7.601 -5.926 1.00 0.00 O ATOM 1378 CB SER A 93 5.500 7.796 -8.205 1.00 0.00 C ATOM 1379 OG SER A 93 5.296 6.409 -8.405 1.00 0.00 O ATOM 0 H SER A 93 7.115 9.681 -6.600 1.00 0.00 H new ATOM 0 HA SER A 93 4.803 7.944 -6.177 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.634 8.350 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.359 8.128 -8.789 1.00 0.00 H new ATOM 0 HG SER A 93 4.594 6.091 -7.800 1.00 0.00 H new ATOM 1385 N PHE A 94 6.432 5.929 -5.935 1.00 0.00 N ATOM 1386 CA PHE A 94 7.360 4.944 -5.393 1.00 0.00 C ATOM 1387 C PHE A 94 6.894 3.526 -5.710 1.00 0.00 C ATOM 1388 O PHE A 94 5.713 3.205 -5.577 1.00 0.00 O ATOM 1389 CB PHE A 94 7.499 5.121 -3.879 1.00 0.00 C ATOM 1390 CG PHE A 94 6.452 4.387 -3.091 1.00 0.00 C ATOM 1391 CD1 PHE A 94 5.248 4.997 -2.777 1.00 0.00 C ATOM 1392 CD2 PHE A 94 6.671 3.087 -2.665 1.00 0.00 C ATOM 1393 CE1 PHE A 94 4.282 4.324 -2.052 1.00 0.00 C ATOM 1394 CE2 PHE A 94 5.709 2.409 -1.940 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.514 3.029 -1.633 1.00 0.00 C ATOM 0 H PHE A 94 5.496 5.569 -6.122 1.00 0.00 H new ATOM 0 HA PHE A 94 8.332 5.102 -5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.485 4.774 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.445 6.183 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.062 6.010 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.604 2.598 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 94 3.348 4.810 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.892 1.396 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.762 2.501 -1.066 1.00 0.00 H new ATOM 1405 N SER A 95 7.830 2.681 -6.130 1.00 0.00 N ATOM 1406 CA SER A 95 7.516 1.298 -6.470 1.00 0.00 C ATOM 1407 C SER A 95 8.098 0.339 -5.437 1.00 0.00 C ATOM 1408 O SER A 95 9.147 0.603 -4.848 1.00 0.00 O ATOM 1409 CB SER A 95 8.056 0.958 -7.860 1.00 0.00 C ATOM 1410 OG SER A 95 9.410 1.353 -7.992 1.00 0.00 O ATOM 0 H SER A 95 8.813 2.930 -6.243 1.00 0.00 H new ATOM 0 HA SER A 95 6.432 1.187 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.968 -0.114 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.453 1.456 -8.619 1.00 0.00 H new ATOM 0 HG SER A 95 9.732 1.123 -8.889 1.00 0.00 H new ATOM 1416 N LEU A 96 7.409 -0.777 -5.221 1.00 0.00 N ATOM 1417 CA LEU A 96 7.856 -1.778 -4.259 1.00 0.00 C ATOM 1418 C LEU A 96 7.571 -3.187 -4.767 1.00 0.00 C ATOM 1419 O LEU A 96 6.695 -3.388 -5.608 1.00 0.00 O ATOM 1420 CB LEU A 96 7.168 -1.561 -2.910 1.00 0.00 C ATOM 1421 CG LEU A 96 5.775 -2.174 -2.762 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.865 -3.688 -2.663 1.00 0.00 C ATOM 1423 CD2 LEU A 96 5.066 -1.599 -1.543 1.00 0.00 C ATOM 0 H LEU A 96 6.539 -1.011 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 96 8.933 -1.668 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.808 -1.970 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.092 -0.488 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 96 5.193 -1.923 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.864 -4.106 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.331 -4.085 -3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.465 -3.961 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.076 -2.046 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.646 -1.819 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.967 -0.519 -1.655 1.00 0.00 H new ATOM 1435 N GLU A 97 8.316 -4.159 -4.250 1.00 0.00 N ATOM 1436 CA GLU A 97 8.142 -5.550 -4.651 1.00 0.00 C ATOM 1437 C GLU A 97 7.474 -6.357 -3.541 1.00 0.00 C ATOM 1438 O GLU A 97 7.740 -6.145 -2.358 1.00 0.00 O ATOM 1439 CB GLU A 97 9.492 -6.174 -5.009 1.00 0.00 C ATOM 1440 CG GLU A 97 9.379 -7.560 -5.623 1.00 0.00 C ATOM 1441 CD GLU A 97 10.506 -7.862 -6.591 1.00 0.00 C ATOM 1442 OE1 GLU A 97 10.721 -7.056 -7.521 1.00 0.00 O ATOM 1443 OE2 GLU A 97 11.173 -8.904 -6.420 1.00 0.00 O ATOM 0 H GLU A 97 9.045 -4.009 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 97 7.497 -5.570 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.012 -5.518 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.105 -6.233 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.377 -8.306 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.425 -7.646 -6.143 1.00 0.00 H new ATOM 1450 N LEU A 98 6.605 -7.283 -3.932 1.00 0.00 N ATOM 1451 CA LEU A 98 5.897 -8.122 -2.971 1.00 0.00 C ATOM 1452 C LEU A 98 5.895 -9.580 -3.420 1.00 0.00 C ATOM 1453 O LEU A 98 5.354 -9.915 -4.474 1.00 0.00 O ATOM 1454 CB LEU A 98 4.460 -7.629 -2.794 1.00 0.00 C ATOM 1455 CG LEU A 98 3.484 -8.620 -2.160 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.984 -9.062 -0.794 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.096 -8.004 -2.048 1.00 0.00 C ATOM 0 H LEU A 98 6.374 -7.472 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 98 6.417 -8.055 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.479 -6.727 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.072 -7.343 -3.772 1.00 0.00 H new ATOM 0 HG LEU A 98 3.420 -9.498 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.276 -9.767 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.956 -9.543 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.078 -8.193 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.414 -8.723 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.144 -7.109 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.735 -7.738 -3.041 1.00 0.00 H new ATOM 1469 N VAL A 99 6.501 -10.444 -2.612 1.00 0.00 N ATOM 1470 CA VAL A 99 6.566 -11.866 -2.923 1.00 0.00 C ATOM 1471 C VAL A 99 5.500 -12.645 -2.162 1.00 0.00 C ATOM 1472 O VAL A 99 5.219 -12.359 -0.997 1.00 0.00 O ATOM 1473 CB VAL A 99 7.951 -12.452 -2.589 1.00 0.00 C ATOM 1474 CG1 VAL A 99 8.030 -13.911 -3.011 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.049 -11.635 -3.254 1.00 0.00 C ATOM 0 H VAL A 99 6.954 -10.183 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 99 6.388 -11.963 -3.994 1.00 0.00 H new ATOM 0 HB VAL A 99 8.096 -12.403 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.016 -14.307 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.268 -14.484 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.864 -13.989 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.021 -12.063 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.910 -11.650 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.004 -10.606 -2.897 1.00 0.00 H new ATOM 1485 N VAL A 100 4.907 -13.632 -2.826 1.00 0.00 N ATOM 1486 CA VAL A 100 3.872 -14.455 -2.212 1.00 0.00 C ATOM 1487 C VAL A 100 4.113 -15.936 -2.483 1.00 0.00 C ATOM 1488 O VAL A 100 4.313 -16.343 -3.627 1.00 0.00 O ATOM 1489 CB VAL A 100 2.472 -14.071 -2.726 1.00 0.00 C ATOM 1490 CG1 VAL A 100 2.410 -14.183 -4.242 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.409 -14.944 -2.076 1.00 0.00 C ATOM 0 H VAL A 100 5.126 -13.881 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 100 3.919 -14.274 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 100 2.276 -13.034 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.413 -13.908 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.146 -13.513 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.627 -15.209 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.426 -14.659 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.600 -15.990 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.439 -14.809 -0.995 1.00 0.00 H new ATOM 1501 N ALA A 101 4.092 -16.737 -1.423 1.00 0.00 N ATOM 1502 CA ALA A 101 4.306 -18.173 -1.547 1.00 0.00 C ATOM 1503 C ALA A 101 2.989 -18.935 -1.448 1.00 0.00 C ATOM 1504 O ALA A 101 2.220 -18.744 -0.506 1.00 0.00 O ATOM 1505 CB ALA A 101 5.279 -18.656 -0.481 1.00 0.00 C ATOM 0 H ALA A 101 3.929 -16.416 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 101 4.735 -18.368 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.429 -19.730 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.233 -18.143 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.872 -18.441 0.507 1.00 0.00 H new ATOM 1511 N ALA A 102 2.734 -19.797 -2.426 1.00 0.00 N ATOM 1512 CA ALA A 102 1.510 -20.589 -2.448 1.00 0.00 C ATOM 1513 C ALA A 102 1.320 -21.342 -1.135 1.00 0.00 C ATOM 1514 O ALA A 102 2.218 -21.380 -0.293 1.00 0.00 O ATOM 1515 CB ALA A 102 1.531 -21.560 -3.618 1.00 0.00 C ATOM 0 H ALA A 102 3.359 -19.965 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 102 0.668 -19.908 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.611 -22.145 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.611 -21.003 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.386 -22.229 -3.520 1.00 0.00 H new