USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 842 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 74 GLN : amide:sc= 0.509 X(o=1.1,f=0.98) USER MOD Set 1.2: A 109 THR OG1 : rot -53:sc= 0.558 USER MOD Set 2.1: A 88 GLN : amide:sc= -0.659 K(o=-2,f=-8.1!) USER MOD Set 2.2: A 93 HIS : no HD1:sc= -1.31 X(o=-2,f=-1.8) USER MOD Single : A 9 MET CE :methyl 154:sc= -0.192 (180deg=-2.32!) USER MOD Single : A 10 THR OG1 : rot 72:sc= 1.09 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.089) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.14) USER MOD Single : A 47 ASN : amide:sc= -0.455 K(o=-0.45,f=-7.1!) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 0.996 (180deg=0.153) USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0697) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.534 K(o=0.53,f=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.15) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.25) USER MOD Single : A 81 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.1) USER MOD Single : A 89 SER OG : rot 126:sc= 0.223 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.017) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0531) USER MOD Single : A 97 LYS NZ :NH3+ 140:sc= -1.85! (180deg=-4.26!) USER MOD Single : A 100 LYS NZ :NH3+ -120:sc= 1.19 (180deg=-0.997!) USER MOD Single : A 103 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 114 LYS NZ :NH3+ -172:sc= 1.12 (180deg=0.916) USER MOD ----------------------------------------------------------------- ATOM 81 N LEU A 6 -1.472 11.137 -9.070 1.00 0.00 N ATOM 82 CA LEU A 6 -0.842 10.471 -7.933 1.00 0.00 C ATOM 83 C LEU A 6 -1.906 9.990 -6.953 1.00 0.00 C ATOM 84 O LEU A 6 -1.767 8.932 -6.331 1.00 0.00 O ATOM 85 CB LEU A 6 0.128 11.435 -7.235 1.00 0.00 C ATOM 86 CG LEU A 6 0.891 10.864 -6.035 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.782 9.712 -6.463 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.716 11.951 -5.366 1.00 0.00 C ATOM 0 HA LEU A 6 -0.283 9.607 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.854 11.785 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.434 12.307 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 6 0.164 10.486 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.314 9.322 -5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.171 8.922 -6.899 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.502 10.064 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.252 11.530 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.432 12.357 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.057 12.748 -5.021 1.00 0.00 H new ATOM 100 N LEU A 7 -2.972 10.773 -6.833 1.00 0.00 N ATOM 101 CA LEU A 7 -4.103 10.422 -5.985 1.00 0.00 C ATOM 102 C LEU A 7 -4.681 9.062 -6.376 1.00 0.00 C ATOM 103 O LEU A 7 -4.913 8.215 -5.519 1.00 0.00 O ATOM 104 CB LEU A 7 -5.187 11.498 -6.085 1.00 0.00 C ATOM 105 CG LEU A 7 -6.412 11.276 -5.196 1.00 0.00 C ATOM 106 CD1 LEU A 7 -6.023 11.314 -3.728 1.00 0.00 C ATOM 107 CD2 LEU A 7 -7.485 12.315 -5.494 1.00 0.00 C ATOM 0 H LEU A 7 -3.076 11.664 -7.318 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.750 10.360 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.744 12.461 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.518 11.562 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.820 10.289 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.908 11.154 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.293 10.530 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.588 12.285 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.348 12.141 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.088 13.312 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.788 12.236 -6.538 1.00 0.00 H new ATOM 119 N GLU A 8 -4.878 8.852 -7.674 1.00 0.00 N ATOM 120 CA GLU A 8 -5.476 7.620 -8.177 1.00 0.00 C ATOM 121 C GLU A 8 -4.603 6.408 -7.874 1.00 0.00 C ATOM 122 O GLU A 8 -5.111 5.329 -7.569 1.00 0.00 O ATOM 123 CB GLU A 8 -5.709 7.724 -9.681 1.00 0.00 C ATOM 124 CG GLU A 8 -6.771 8.738 -10.065 1.00 0.00 C ATOM 125 CD GLU A 8 -8.121 8.416 -9.461 1.00 0.00 C ATOM 126 OE1 GLU A 8 -8.809 7.518 -9.985 1.00 0.00 O ATOM 127 OE2 GLU A 8 -8.501 9.063 -8.466 1.00 0.00 O ATOM 0 H GLU A 8 -4.630 9.524 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.431 7.485 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.771 7.992 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.999 6.745 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.457 9.730 -9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.861 8.773 -11.151 1.00 0.00 H new ATOM 134 N MET A 9 -3.291 6.583 -7.961 1.00 0.00 N ATOM 135 CA MET A 9 -2.368 5.495 -7.662 1.00 0.00 C ATOM 136 C MET A 9 -2.382 5.196 -6.168 1.00 0.00 C ATOM 137 O MET A 9 -2.299 4.040 -5.754 1.00 0.00 O ATOM 138 CB MET A 9 -0.955 5.834 -8.138 1.00 0.00 C ATOM 139 CG MET A 9 0.047 4.711 -7.917 1.00 0.00 C ATOM 140 SD MET A 9 1.618 5.002 -8.758 1.00 0.00 S ATOM 141 CE MET A 9 2.106 6.569 -8.043 1.00 0.00 C ATOM 0 H MET A 9 -2.845 7.459 -8.233 1.00 0.00 H new ATOM 0 HA MET A 9 -2.693 4.603 -8.198 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.987 6.078 -9.200 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.609 6.726 -7.616 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.228 4.596 -6.848 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.381 3.773 -8.270 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.191 6.663 -8.079 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.652 7.384 -8.608 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.772 6.616 -7.007 1.00 0.00 H new ATOM 151 N THR A 10 -2.511 6.248 -5.368 1.00 0.00 N ATOM 152 CA THR A 10 -2.649 6.100 -3.928 1.00 0.00 C ATOM 153 C THR A 10 -3.949 5.363 -3.606 1.00 0.00 C ATOM 154 O THR A 10 -3.964 4.442 -2.795 1.00 0.00 O ATOM 155 CB THR A 10 -2.638 7.474 -3.224 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.488 8.226 -3.643 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.615 7.317 -1.710 1.00 0.00 C ATOM 0 H THR A 10 -2.523 7.214 -5.695 1.00 0.00 H new ATOM 0 HA THR A 10 -1.801 5.522 -3.561 1.00 0.00 H new ATOM 0 HB THR A 10 -3.549 8.003 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.613 8.527 -4.567 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.608 8.301 -1.242 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.500 6.769 -1.388 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.721 6.768 -1.415 1.00 0.00 H new ATOM 165 N GLU A 11 -5.024 5.761 -4.283 1.00 0.00 N ATOM 166 CA GLU A 11 -6.331 5.120 -4.146 1.00 0.00 C ATOM 167 C GLU A 11 -6.237 3.613 -4.356 1.00 0.00 C ATOM 168 O GLU A 11 -6.706 2.827 -3.532 1.00 0.00 O ATOM 169 CB GLU A 11 -7.304 5.719 -5.161 1.00 0.00 C ATOM 170 CG GLU A 11 -7.808 7.102 -4.789 1.00 0.00 C ATOM 171 CD GLU A 11 -8.817 7.060 -3.663 1.00 0.00 C ATOM 172 OE1 GLU A 11 -10.024 6.943 -3.958 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.412 7.141 -2.489 1.00 0.00 O ATOM 0 H GLU A 11 -5.014 6.538 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.692 5.299 -3.133 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.813 5.771 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.157 5.050 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.965 7.727 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.262 7.569 -5.663 1.00 0.00 H new ATOM 180 N GLN A 12 -5.618 3.220 -5.461 1.00 0.00 N ATOM 181 CA GLN A 12 -5.447 1.811 -5.784 1.00 0.00 C ATOM 182 C GLN A 12 -4.647 1.100 -4.697 1.00 0.00 C ATOM 183 O GLN A 12 -5.002 -0.001 -4.270 1.00 0.00 O ATOM 184 CB GLN A 12 -4.749 1.661 -7.138 1.00 0.00 C ATOM 185 CG GLN A 12 -4.475 0.216 -7.526 1.00 0.00 C ATOM 186 CD GLN A 12 -3.841 0.081 -8.896 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.129 0.971 -9.361 1.00 0.00 O ATOM 188 NE2 GLN A 12 -4.084 -1.044 -9.548 1.00 0.00 N ATOM 0 H GLN A 12 -5.225 3.860 -6.151 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.433 1.350 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.365 2.124 -7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.806 2.207 -7.113 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.819 -0.236 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.411 -0.343 -7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.680 -1.758 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.676 -1.198 -10.470 1.00 0.00 H new ATOM 197 N MET A 13 -3.581 1.745 -4.239 1.00 0.00 N ATOM 198 CA MET A 13 -2.722 1.171 -3.211 1.00 0.00 C ATOM 199 C MET A 13 -3.490 1.005 -1.901 1.00 0.00 C ATOM 200 O MET A 13 -3.318 0.012 -1.192 1.00 0.00 O ATOM 201 CB MET A 13 -1.491 2.053 -2.998 1.00 0.00 C ATOM 202 CG MET A 13 -0.398 1.389 -2.180 1.00 0.00 C ATOM 203 SD MET A 13 1.062 2.430 -2.022 1.00 0.00 S ATOM 204 CE MET A 13 2.229 1.280 -1.300 1.00 0.00 C ATOM 0 H MET A 13 -3.291 2.667 -4.564 1.00 0.00 H new ATOM 0 HA MET A 13 -2.394 0.186 -3.544 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.085 2.335 -3.969 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.796 2.974 -2.501 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.782 1.152 -1.188 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.120 0.445 -2.648 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.184 1.781 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.845 0.923 -0.344 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.370 0.434 -1.973 1.00 0.00 H new ATOM 214 N ILE A 14 -4.347 1.975 -1.596 1.00 0.00 N ATOM 215 CA ILE A 14 -5.193 1.905 -0.408 1.00 0.00 C ATOM 216 C ILE A 14 -6.108 0.689 -0.482 1.00 0.00 C ATOM 217 O ILE A 14 -6.225 -0.076 0.477 1.00 0.00 O ATOM 218 CB ILE A 14 -6.059 3.180 -0.240 1.00 0.00 C ATOM 219 CG1 ILE A 14 -5.175 4.414 -0.031 1.00 0.00 C ATOM 220 CG2 ILE A 14 -7.029 3.023 0.926 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.956 5.707 0.102 1.00 0.00 C ATOM 0 H ILE A 14 -4.474 2.819 -2.155 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.530 1.822 0.454 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.635 3.318 -1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.572 4.270 0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.484 4.502 -0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.627 3.929 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.686 2.173 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.468 2.855 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.264 6.537 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.539 5.875 -0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.627 5.640 0.958 1.00 0.00 H new ATOM 233 N GLU A 15 -6.731 0.509 -1.639 1.00 0.00 N ATOM 234 CA GLU A 15 -7.672 -0.583 -1.843 1.00 0.00 C ATOM 235 C GLU A 15 -6.994 -1.936 -1.658 1.00 0.00 C ATOM 236 O GLU A 15 -7.582 -2.856 -1.090 1.00 0.00 O ATOM 237 CB GLU A 15 -8.294 -0.491 -3.234 1.00 0.00 C ATOM 238 CG GLU A 15 -9.393 -1.509 -3.468 1.00 0.00 C ATOM 239 CD GLU A 15 -10.027 -1.380 -4.832 1.00 0.00 C ATOM 240 OE1 GLU A 15 -10.918 -0.523 -4.996 1.00 0.00 O ATOM 241 OE2 GLU A 15 -9.647 -2.150 -5.737 1.00 0.00 O ATOM 0 H GLU A 15 -6.600 1.109 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.459 -0.494 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.699 0.511 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.514 -0.630 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.983 -2.513 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.160 -1.391 -2.703 1.00 0.00 H new ATOM 248 N VAL A 16 -5.761 -2.054 -2.137 1.00 0.00 N ATOM 249 CA VAL A 16 -5.009 -3.296 -1.998 1.00 0.00 C ATOM 250 C VAL A 16 -4.726 -3.596 -0.529 1.00 0.00 C ATOM 251 O VAL A 16 -4.829 -4.743 -0.094 1.00 0.00 O ATOM 252 CB VAL A 16 -3.681 -3.263 -2.787 1.00 0.00 C ATOM 253 CG1 VAL A 16 -2.943 -4.588 -2.648 1.00 0.00 C ATOM 254 CG2 VAL A 16 -3.939 -2.952 -4.252 1.00 0.00 C ATOM 0 H VAL A 16 -5.262 -1.309 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.629 -4.089 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.055 -2.474 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.010 -4.546 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.725 -4.774 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.565 -5.394 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.992 -2.933 -4.792 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.585 -3.720 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.425 -1.980 -4.338 1.00 0.00 H new ATOM 264 N ALA A 17 -4.395 -2.564 0.238 1.00 0.00 N ATOM 265 CA ALA A 17 -4.162 -2.725 1.668 1.00 0.00 C ATOM 266 C ALA A 17 -5.443 -3.166 2.372 1.00 0.00 C ATOM 267 O ALA A 17 -5.429 -4.084 3.196 1.00 0.00 O ATOM 268 CB ALA A 17 -3.629 -1.435 2.273 1.00 0.00 C ATOM 0 H ALA A 17 -4.282 -1.610 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.410 -3.501 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.462 -1.576 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.689 -1.168 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.354 -0.635 2.122 1.00 0.00 H new ATOM 274 N GLU A 18 -6.551 -2.518 2.021 1.00 0.00 N ATOM 275 CA GLU A 18 -7.861 -2.877 2.536 1.00 0.00 C ATOM 276 C GLU A 18 -8.194 -4.331 2.197 1.00 0.00 C ATOM 277 O GLU A 18 -8.597 -5.110 3.063 1.00 0.00 O ATOM 278 CB GLU A 18 -8.905 -1.951 1.923 1.00 0.00 C ATOM 279 CG GLU A 18 -8.794 -0.502 2.371 1.00 0.00 C ATOM 280 CD GLU A 18 -9.516 -0.219 3.676 1.00 0.00 C ATOM 281 OE1 GLU A 18 -10.714 -0.563 3.775 1.00 0.00 O ATOM 282 OE2 GLU A 18 -8.912 0.393 4.581 1.00 0.00 O ATOM 0 H GLU A 18 -6.562 -1.731 1.372 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.860 -2.771 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.817 -1.991 0.837 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.898 -2.323 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.741 -0.243 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.200 0.144 1.592 1.00 0.00 H new ATOM 289 N LYS A 19 -8.007 -4.690 0.930 1.00 0.00 N ATOM 290 CA LYS A 19 -8.309 -6.034 0.453 1.00 0.00 C ATOM 291 C LYS A 19 -7.324 -7.068 0.992 1.00 0.00 C ATOM 292 O LYS A 19 -7.636 -8.256 1.035 1.00 0.00 O ATOM 293 CB LYS A 19 -8.344 -6.073 -1.078 1.00 0.00 C ATOM 294 CG LYS A 19 -9.718 -5.762 -1.652 1.00 0.00 C ATOM 295 CD LYS A 19 -10.726 -6.827 -1.240 1.00 0.00 C ATOM 296 CE LYS A 19 -12.119 -6.543 -1.776 1.00 0.00 C ATOM 297 NZ LYS A 19 -12.698 -5.303 -1.198 1.00 0.00 N ATOM 0 H LYS A 19 -7.645 -4.063 0.211 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.297 -6.295 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.622 -5.356 -1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.030 -7.060 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.051 -4.784 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.660 -5.710 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.392 -7.799 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.763 -6.887 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.078 -6.452 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.772 -7.386 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.694 -5.219 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.638 -5.342 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.168 -4.478 -1.544 1.00 0.00 H new ATOM 311 N GLY A 20 -6.137 -6.626 1.386 1.00 0.00 N ATOM 312 CA GLY A 20 -5.198 -7.520 2.036 1.00 0.00 C ATOM 313 C GLY A 20 -5.716 -7.997 3.379 1.00 0.00 C ATOM 314 O GLY A 20 -5.678 -9.195 3.683 1.00 0.00 O ATOM 0 H GLY A 20 -5.808 -5.668 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.009 -8.379 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.245 -7.009 2.174 1.00 0.00 H new ATOM 318 N ALA A 21 -6.212 -7.058 4.178 1.00 0.00 N ATOM 319 CA ALA A 21 -6.828 -7.387 5.458 1.00 0.00 C ATOM 320 C ALA A 21 -8.134 -8.139 5.230 1.00 0.00 C ATOM 321 O ALA A 21 -8.473 -9.067 5.964 1.00 0.00 O ATOM 322 CB ALA A 21 -7.073 -6.124 6.271 1.00 0.00 C ATOM 0 H ALA A 21 -6.199 -6.061 3.961 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.149 -8.028 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.533 -6.388 7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.124 -5.619 6.454 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.737 -5.459 5.719 1.00 0.00 H new ATOM 328 N ASP A 22 -8.853 -7.724 4.196 1.00 0.00 N ATOM 329 CA ASP A 22 -10.074 -8.403 3.763 1.00 0.00 C ATOM 330 C ASP A 22 -9.787 -9.856 3.414 1.00 0.00 C ATOM 331 O ASP A 22 -10.546 -10.754 3.764 1.00 0.00 O ATOM 332 CB ASP A 22 -10.654 -7.689 2.544 1.00 0.00 C ATOM 333 CG ASP A 22 -11.868 -8.381 1.963 1.00 0.00 C ATOM 334 OD1 ASP A 22 -11.693 -9.295 1.127 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.999 -7.984 2.316 1.00 0.00 O ATOM 0 H ASP A 22 -8.610 -6.909 3.633 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.794 -8.377 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.924 -6.671 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.885 -7.615 1.775 1.00 0.00 H new ATOM 340 N ARG A 23 -8.672 -10.076 2.733 1.00 0.00 N ATOM 341 CA ARG A 23 -8.276 -11.407 2.302 1.00 0.00 C ATOM 342 C ARG A 23 -8.012 -12.304 3.511 1.00 0.00 C ATOM 343 O ARG A 23 -8.284 -13.506 3.476 1.00 0.00 O ATOM 344 CB ARG A 23 -7.031 -11.321 1.416 1.00 0.00 C ATOM 345 CG ARG A 23 -7.059 -12.276 0.233 1.00 0.00 C ATOM 346 CD ARG A 23 -7.809 -11.685 -0.960 1.00 0.00 C ATOM 347 NE ARG A 23 -9.151 -11.195 -0.616 1.00 0.00 N ATOM 348 CZ ARG A 23 -10.197 -11.240 -1.443 1.00 0.00 C ATOM 349 NH1 ARG A 23 -10.078 -11.803 -2.643 1.00 0.00 N ATOM 350 NH2 ARG A 23 -11.364 -10.727 -1.067 1.00 0.00 N ATOM 0 H ARG A 23 -8.019 -9.340 2.465 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.089 -11.845 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.928 -10.301 1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.149 -11.531 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.038 -12.517 -0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.533 -13.211 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.226 -10.864 -1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.895 -12.443 -1.739 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.291 -10.796 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.185 -12.202 -2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.880 -11.836 -3.273 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.460 -10.299 -0.146 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.164 -10.761 -1.699 1.00 0.00 H new ATOM 364 N TYR A 24 -7.481 -11.709 4.573 1.00 0.00 N ATOM 365 CA TYR A 24 -7.271 -12.412 5.834 1.00 0.00 C ATOM 366 C TYR A 24 -8.610 -12.666 6.534 1.00 0.00 C ATOM 367 O TYR A 24 -8.813 -13.709 7.159 1.00 0.00 O ATOM 368 CB TYR A 24 -6.335 -11.590 6.730 1.00 0.00 C ATOM 369 CG TYR A 24 -6.263 -12.066 8.166 1.00 0.00 C ATOM 370 CD1 TYR A 24 -5.515 -13.185 8.519 1.00 0.00 C ATOM 371 CD2 TYR A 24 -6.948 -11.392 9.170 1.00 0.00 C ATOM 372 CE1 TYR A 24 -5.456 -13.616 9.832 1.00 0.00 C ATOM 373 CE2 TYR A 24 -6.892 -11.818 10.481 1.00 0.00 C ATOM 374 CZ TYR A 24 -6.147 -12.927 10.806 1.00 0.00 C ATOM 375 OH TYR A 24 -6.100 -13.352 12.115 1.00 0.00 O ATOM 0 H TYR A 24 -7.186 -10.733 4.585 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.808 -13.378 5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.332 -11.611 6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.664 -10.551 6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.973 -13.725 7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.534 -10.520 8.920 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.872 -14.487 10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.431 -11.283 11.249 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.641 -12.754 12.673 1.00 0.00 H new ATOM 385 N GLN A 25 -9.511 -11.698 6.417 1.00 0.00 N ATOM 386 CA GLN A 25 -10.848 -11.792 6.995 1.00 0.00 C ATOM 387 C GLN A 25 -11.635 -12.933 6.352 1.00 0.00 C ATOM 388 O GLN A 25 -12.255 -13.742 7.042 1.00 0.00 O ATOM 389 CB GLN A 25 -11.589 -10.464 6.798 1.00 0.00 C ATOM 390 CG GLN A 25 -13.010 -10.451 7.336 1.00 0.00 C ATOM 391 CD GLN A 25 -13.738 -9.156 7.029 1.00 0.00 C ATOM 392 OE1 GLN A 25 -13.128 -8.094 6.909 1.00 0.00 O ATOM 393 NE2 GLN A 25 -15.049 -9.238 6.890 1.00 0.00 N ATOM 0 H GLN A 25 -9.336 -10.825 5.919 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.755 -11.999 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.022 -9.670 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.615 -10.231 5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.565 -11.286 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.988 -10.604 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.518 -10.137 6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.592 -8.402 6.675 1.00 0.00 H new ATOM 635 N LYS A 41 2.428 -14.312 -8.519 1.00 0.00 N ATOM 636 CA LYS A 41 3.099 -14.057 -9.785 1.00 0.00 C ATOM 637 C LYS A 41 2.614 -12.731 -10.389 1.00 0.00 C ATOM 638 O LYS A 41 3.417 -11.810 -10.542 1.00 0.00 O ATOM 639 CB LYS A 41 2.944 -15.244 -10.761 1.00 0.00 C ATOM 640 CG LYS A 41 3.280 -14.920 -12.209 1.00 0.00 C ATOM 641 CD LYS A 41 4.690 -14.366 -12.361 1.00 0.00 C ATOM 642 CE LYS A 41 5.018 -14.091 -13.817 1.00 0.00 C ATOM 643 NZ LYS A 41 6.303 -13.366 -13.974 1.00 0.00 N ATOM 0 HA LYS A 41 4.168 -13.959 -9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.586 -16.059 -10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.917 -15.606 -10.712 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.178 -15.821 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.563 -14.195 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.786 -13.446 -11.784 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.409 -15.076 -11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.066 -15.034 -14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.215 -13.505 -14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.639 -13.464 -14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.162 -12.359 -13.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.009 -13.766 -13.324 1.00 0.00 H new ATOM 657 N PRO A 42 1.303 -12.570 -10.703 1.00 0.00 N ATOM 658 CA PRO A 42 0.796 -11.320 -11.275 1.00 0.00 C ATOM 659 C PRO A 42 0.724 -10.218 -10.228 1.00 0.00 C ATOM 660 O PRO A 42 1.185 -9.098 -10.451 1.00 0.00 O ATOM 661 CB PRO A 42 -0.614 -11.677 -11.776 1.00 0.00 C ATOM 662 CG PRO A 42 -0.737 -13.158 -11.626 1.00 0.00 C ATOM 663 CD PRO A 42 0.215 -13.544 -10.533 1.00 0.00 C ATOM 0 HA PRO A 42 1.444 -10.941 -12.065 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.378 -11.160 -11.195 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.747 -11.377 -12.815 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.758 -13.441 -11.371 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.488 -13.666 -12.558 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.246 -13.470 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.567 -14.570 -10.644 1.00 0.00 H new ATOM 671 N ALA A 43 0.165 -10.557 -9.069 1.00 0.00 N ATOM 672 CA ALA A 43 0.005 -9.604 -7.982 1.00 0.00 C ATOM 673 C ALA A 43 1.357 -9.126 -7.465 1.00 0.00 C ATOM 674 O ALA A 43 1.489 -7.993 -7.005 1.00 0.00 O ATOM 675 CB ALA A 43 -0.805 -10.226 -6.853 1.00 0.00 C ATOM 0 H ALA A 43 -0.186 -11.492 -8.861 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.532 -8.737 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.918 -9.503 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.789 -10.511 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.289 -11.110 -6.479 1.00 0.00 H new ATOM 681 N VAL A 44 2.360 -9.990 -7.555 1.00 0.00 N ATOM 682 CA VAL A 44 3.696 -9.661 -7.079 1.00 0.00 C ATOM 683 C VAL A 44 4.283 -8.501 -7.878 1.00 0.00 C ATOM 684 O VAL A 44 4.661 -7.482 -7.307 1.00 0.00 O ATOM 685 CB VAL A 44 4.648 -10.875 -7.158 1.00 0.00 C ATOM 686 CG1 VAL A 44 6.035 -10.518 -6.637 1.00 0.00 C ATOM 687 CG2 VAL A 44 4.074 -12.053 -6.387 1.00 0.00 C ATOM 0 H VAL A 44 2.273 -10.925 -7.954 1.00 0.00 H new ATOM 0 HA VAL A 44 3.599 -9.369 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 44 4.745 -11.160 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.685 -11.391 -6.704 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.452 -9.709 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.962 -10.199 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.758 -12.899 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.942 -11.774 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.110 -12.331 -6.812 1.00 0.00 H new ATOM 697 N GLU A 45 4.322 -8.652 -9.199 1.00 0.00 N ATOM 698 CA GLU A 45 4.888 -7.632 -10.072 1.00 0.00 C ATOM 699 C GLU A 45 4.121 -6.317 -9.974 1.00 0.00 C ATOM 700 O GLU A 45 4.725 -5.246 -9.891 1.00 0.00 O ATOM 701 CB GLU A 45 4.896 -8.124 -11.513 1.00 0.00 C ATOM 702 CG GLU A 45 5.860 -9.272 -11.753 1.00 0.00 C ATOM 703 CD GLU A 45 5.914 -9.697 -13.203 1.00 0.00 C ATOM 704 OE1 GLU A 45 6.314 -8.872 -14.051 1.00 0.00 O ATOM 705 OE2 GLU A 45 5.574 -10.861 -13.500 1.00 0.00 O ATOM 0 H GLU A 45 3.967 -9.474 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 45 5.911 -7.446 -9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.890 -8.441 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.159 -7.295 -12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.858 -8.977 -11.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.564 -10.123 -11.140 1.00 0.00 H new ATOM 712 N GLU A 46 2.795 -6.405 -9.979 1.00 0.00 N ATOM 713 CA GLU A 46 1.946 -5.240 -9.880 1.00 0.00 C ATOM 714 C GLU A 46 2.259 -4.427 -8.630 1.00 0.00 C ATOM 715 O GLU A 46 2.534 -3.232 -8.716 1.00 0.00 O ATOM 716 CB GLU A 46 0.488 -5.677 -9.869 1.00 0.00 C ATOM 717 CG GLU A 46 -0.003 -6.226 -11.198 1.00 0.00 C ATOM 718 CD GLU A 46 0.070 -5.198 -12.309 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.757 -4.264 -12.315 1.00 0.00 O ATOM 720 OE2 GLU A 46 0.954 -5.319 -13.182 1.00 0.00 O ATOM 0 H GLU A 46 2.287 -7.287 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 46 2.134 -4.603 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.354 -6.439 -9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.133 -4.827 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.594 -7.096 -11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.032 -6.567 -11.089 1.00 0.00 H new ATOM 727 N ASN A 47 2.226 -5.082 -7.474 1.00 0.00 N ATOM 728 CA ASN A 47 2.469 -4.403 -6.202 1.00 0.00 C ATOM 729 C ASN A 47 3.923 -3.959 -6.074 1.00 0.00 C ATOM 730 O ASN A 47 4.200 -2.898 -5.513 1.00 0.00 O ATOM 731 CB ASN A 47 2.077 -5.292 -5.018 1.00 0.00 C ATOM 732 CG ASN A 47 0.572 -5.395 -4.844 1.00 0.00 C ATOM 733 OD1 ASN A 47 -0.041 -4.576 -4.172 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.031 -6.409 -5.443 1.00 0.00 N ATOM 0 H ASN A 47 2.034 -6.080 -7.390 1.00 0.00 H new ATOM 0 HA ASN A 47 1.841 -3.512 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.492 -6.289 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.519 -4.892 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.040 -6.528 -5.353 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.513 -7.072 -5.995 1.00 0.00 H new ATOM 741 N ASP A 48 4.843 -4.767 -6.595 1.00 0.00 N ATOM 742 CA ASP A 48 6.264 -4.413 -6.614 1.00 0.00 C ATOM 743 C ASP A 48 6.472 -3.068 -7.303 1.00 0.00 C ATOM 744 O ASP A 48 7.072 -2.152 -6.738 1.00 0.00 O ATOM 745 CB ASP A 48 7.073 -5.501 -7.330 1.00 0.00 C ATOM 746 CG ASP A 48 8.546 -5.158 -7.462 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.278 -5.250 -6.456 1.00 0.00 O ATOM 748 OD2 ASP A 48 8.988 -4.825 -8.583 1.00 0.00 O ATOM 0 H ASP A 48 4.631 -5.674 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 48 6.612 -4.334 -5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.972 -6.439 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.653 -5.663 -8.323 1.00 0.00 H new ATOM 753 N GLU A 49 5.943 -2.947 -8.515 1.00 0.00 N ATOM 754 CA GLU A 49 6.052 -1.708 -9.269 1.00 0.00 C ATOM 755 C GLU A 49 5.173 -0.619 -8.663 1.00 0.00 C ATOM 756 O GLU A 49 5.503 0.560 -8.736 1.00 0.00 O ATOM 757 CB GLU A 49 5.669 -1.932 -10.733 1.00 0.00 C ATOM 758 CG GLU A 49 6.606 -2.872 -11.468 1.00 0.00 C ATOM 759 CD GLU A 49 6.257 -3.001 -12.933 1.00 0.00 C ATOM 760 OE1 GLU A 49 6.182 -1.961 -13.618 1.00 0.00 O ATOM 761 OE2 GLU A 49 6.050 -4.138 -13.407 1.00 0.00 O ATOM 0 H GLU A 49 5.436 -3.691 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 49 7.091 -1.381 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.656 -2.333 -10.778 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.654 -0.971 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.630 -2.510 -11.371 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.570 -3.856 -11.000 1.00 0.00 H new ATOM 768 N LEU A 50 4.062 -1.022 -8.055 1.00 0.00 N ATOM 769 CA LEU A 50 3.130 -0.078 -7.443 1.00 0.00 C ATOM 770 C LEU A 50 3.805 0.661 -6.297 1.00 0.00 C ATOM 771 O LEU A 50 3.789 1.891 -6.240 1.00 0.00 O ATOM 772 CB LEU A 50 1.900 -0.817 -6.911 1.00 0.00 C ATOM 773 CG LEU A 50 0.646 0.037 -6.727 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.087 0.445 -8.079 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.400 -0.719 -5.922 1.00 0.00 C ATOM 0 H LEU A 50 3.783 -2.000 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 50 2.820 0.639 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.665 -1.633 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.155 -1.267 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 50 0.915 0.938 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.806 1.053 -7.935 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.835 1.022 -8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.170 -0.447 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.286 -0.096 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.670 -1.636 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.006 -0.968 -4.941 1.00 0.00 H new ATOM 787 N ALA A 51 4.403 -0.103 -5.392 1.00 0.00 N ATOM 788 CA ALA A 51 5.107 0.464 -4.251 1.00 0.00 C ATOM 789 C ALA A 51 6.270 1.331 -4.714 1.00 0.00 C ATOM 790 O ALA A 51 6.543 2.380 -4.135 1.00 0.00 O ATOM 791 CB ALA A 51 5.601 -0.640 -3.329 1.00 0.00 C ATOM 0 H ALA A 51 4.414 -1.122 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 51 4.410 1.093 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.125 -0.199 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.752 -1.220 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.281 -1.293 -3.876 1.00 0.00 H new ATOM 797 N ALA A 52 6.944 0.886 -5.769 1.00 0.00 N ATOM 798 CA ALA A 52 8.037 1.648 -6.353 1.00 0.00 C ATOM 799 C ALA A 52 7.536 2.977 -6.908 1.00 0.00 C ATOM 800 O ALA A 52 8.075 4.034 -6.586 1.00 0.00 O ATOM 801 CB ALA A 52 8.718 0.842 -7.447 1.00 0.00 C ATOM 0 H ALA A 52 6.751 0.000 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 52 8.764 1.858 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.534 1.425 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.115 -0.082 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.995 0.604 -8.227 1.00 0.00 H new ATOM 807 N ARG A 53 6.493 2.909 -7.728 1.00 0.00 N ATOM 808 CA ARG A 53 5.891 4.076 -8.335 1.00 0.00 C ATOM 809 C ARG A 53 5.380 5.050 -7.278 1.00 0.00 C ATOM 810 O ARG A 53 5.601 6.257 -7.376 1.00 0.00 O ATOM 811 CB ARG A 53 4.740 3.620 -9.224 1.00 0.00 C ATOM 812 CG ARG A 53 5.159 3.081 -10.585 1.00 0.00 C ATOM 813 CD ARG A 53 5.739 4.168 -11.481 1.00 0.00 C ATOM 814 NE ARG A 53 5.811 3.730 -12.879 1.00 0.00 N ATOM 815 CZ ARG A 53 6.302 4.470 -13.880 1.00 0.00 C ATOM 816 NH1 ARG A 53 6.866 5.647 -13.634 1.00 0.00 N ATOM 817 NH2 ARG A 53 6.252 4.016 -15.126 1.00 0.00 N ATOM 0 H ARG A 53 6.042 2.032 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 53 6.644 4.598 -8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.179 2.846 -8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.061 4.459 -9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.898 2.292 -10.449 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.297 2.629 -11.076 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.124 5.065 -11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.736 4.436 -11.131 1.00 0.00 H new ATOM 0 HE ARG A 53 5.463 2.798 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.927 5.993 -12.676 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.238 6.205 -14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.839 3.104 -15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.626 4.580 -15.890 1.00 0.00 H new ATOM 831 N TRP A 54 4.694 4.520 -6.271 1.00 0.00 N ATOM 832 CA TRP A 54 4.165 5.346 -5.195 1.00 0.00 C ATOM 833 C TRP A 54 5.299 6.029 -4.441 1.00 0.00 C ATOM 834 O TRP A 54 5.239 7.231 -4.171 1.00 0.00 O ATOM 835 CB TRP A 54 3.328 4.506 -4.228 1.00 0.00 C ATOM 836 CG TRP A 54 2.734 5.309 -3.108 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.634 6.114 -3.175 1.00 0.00 C ATOM 838 CD2 TRP A 54 3.207 5.386 -1.758 1.00 0.00 C ATOM 839 NE1 TRP A 54 1.395 6.689 -1.951 1.00 0.00 N ATOM 840 CE2 TRP A 54 2.347 6.260 -1.064 1.00 0.00 C ATOM 841 CE3 TRP A 54 4.273 4.804 -1.070 1.00 0.00 C ATOM 842 CZ2 TRP A 54 2.521 6.563 0.285 1.00 0.00 C ATOM 843 CZ3 TRP A 54 4.446 5.106 0.269 1.00 0.00 C ATOM 844 CH2 TRP A 54 3.573 5.978 0.934 1.00 0.00 C ATOM 0 H TRP A 54 4.492 3.524 -6.179 1.00 0.00 H new ATOM 0 HA TRP A 54 3.525 6.109 -5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.526 4.018 -4.782 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.952 3.717 -3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.038 6.275 -4.061 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.632 7.331 -1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.950 4.130 -1.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.850 7.235 0.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 5.268 4.662 0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.734 6.192 1.980 1.00 0.00 H new ATOM 855 N ALA A 55 6.335 5.260 -4.119 1.00 0.00 N ATOM 856 CA ALA A 55 7.506 5.796 -3.440 1.00 0.00 C ATOM 857 C ALA A 55 8.137 6.908 -4.267 1.00 0.00 C ATOM 858 O ALA A 55 8.499 7.954 -3.735 1.00 0.00 O ATOM 859 CB ALA A 55 8.520 4.695 -3.167 1.00 0.00 C ATOM 0 H ALA A 55 6.385 4.261 -4.319 1.00 0.00 H new ATOM 0 HA ALA A 55 7.188 6.212 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.387 5.117 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.066 3.931 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.834 4.248 -4.110 1.00 0.00 H new ATOM 865 N GLU A 56 8.247 6.675 -5.571 1.00 0.00 N ATOM 866 CA GLU A 56 8.784 7.655 -6.488 1.00 0.00 C ATOM 867 C GLU A 56 7.948 8.929 -6.481 1.00 0.00 C ATOM 868 O GLU A 56 8.485 10.030 -6.375 1.00 0.00 O ATOM 869 CB GLU A 56 8.816 7.066 -7.891 1.00 0.00 C ATOM 870 CG GLU A 56 9.918 6.048 -8.111 1.00 0.00 C ATOM 871 CD GLU A 56 10.131 5.760 -9.579 1.00 0.00 C ATOM 872 OE1 GLU A 56 10.867 6.529 -10.228 1.00 0.00 O ATOM 873 OE2 GLU A 56 9.543 4.789 -10.099 1.00 0.00 O ATOM 0 H GLU A 56 7.965 5.801 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 56 9.794 7.912 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.855 6.595 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.935 7.876 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.846 6.417 -7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.667 5.123 -7.592 1.00 0.00 H new ATOM 880 N GLY A 57 6.635 8.770 -6.594 1.00 0.00 N ATOM 881 CA GLY A 57 5.742 9.914 -6.599 1.00 0.00 C ATOM 882 C GLY A 57 5.795 10.693 -5.299 1.00 0.00 C ATOM 883 O GLY A 57 5.799 11.925 -5.306 1.00 0.00 O ATOM 0 H GLY A 57 6.171 7.866 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.005 10.574 -7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.721 9.574 -6.775 1.00 0.00 H new ATOM 887 N ALA A 58 5.842 9.974 -4.186 1.00 0.00 N ATOM 888 CA ALA A 58 5.925 10.598 -2.871 1.00 0.00 C ATOM 889 C ALA A 58 7.252 11.327 -2.699 1.00 0.00 C ATOM 890 O ALA A 58 7.293 12.454 -2.200 1.00 0.00 O ATOM 891 CB ALA A 58 5.736 9.557 -1.778 1.00 0.00 C ATOM 0 H ALA A 58 5.824 8.954 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 58 5.125 11.334 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.801 10.038 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.758 9.088 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.514 8.798 -1.860 1.00 0.00 H new ATOM 897 N LEU A 59 8.333 10.691 -3.134 1.00 0.00 N ATOM 898 CA LEU A 59 9.656 11.277 -3.061 1.00 0.00 C ATOM 899 C LEU A 59 9.763 12.502 -3.959 1.00 0.00 C ATOM 900 O LEU A 59 10.441 13.469 -3.624 1.00 0.00 O ATOM 901 CB LEU A 59 10.697 10.240 -3.466 1.00 0.00 C ATOM 902 CG LEU A 59 10.991 9.161 -2.418 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.977 8.139 -2.967 1.00 0.00 C ATOM 904 CD2 LEU A 59 11.531 9.789 -1.142 1.00 0.00 C ATOM 0 H LEU A 59 8.312 9.758 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 59 9.837 11.595 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.362 9.752 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.627 10.757 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 59 10.059 8.649 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.174 7.380 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.555 7.666 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.909 8.638 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.734 9.008 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.453 10.327 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.794 10.483 -0.738 1.00 0.00 H new ATOM 916 N GLU A 60 9.102 12.445 -5.107 1.00 0.00 N ATOM 917 CA GLU A 60 9.062 13.572 -6.030 1.00 0.00 C ATOM 918 C GLU A 60 8.353 14.763 -5.382 1.00 0.00 C ATOM 919 O GLU A 60 8.803 15.906 -5.488 1.00 0.00 O ATOM 920 CB GLU A 60 8.336 13.170 -7.318 1.00 0.00 C ATOM 921 CG GLU A 60 8.508 14.158 -8.462 1.00 0.00 C ATOM 922 CD GLU A 60 9.936 14.230 -8.961 1.00 0.00 C ATOM 923 OE1 GLU A 60 10.360 13.313 -9.700 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.642 15.201 -8.627 1.00 0.00 O ATOM 0 H GLU A 60 8.583 11.626 -5.423 1.00 0.00 H new ATOM 0 HA GLU A 60 10.084 13.861 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.700 12.193 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.273 13.060 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.854 13.872 -9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.192 15.148 -8.133 1.00 0.00 H new ATOM 931 N LEU A 61 7.253 14.481 -4.693 1.00 0.00 N ATOM 932 CA LEU A 61 6.471 15.515 -4.026 1.00 0.00 C ATOM 933 C LEU A 61 7.286 16.197 -2.926 1.00 0.00 C ATOM 934 O LEU A 61 7.332 17.425 -2.844 1.00 0.00 O ATOM 935 CB LEU A 61 5.191 14.912 -3.437 1.00 0.00 C ATOM 936 CG LEU A 61 4.248 15.907 -2.753 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.735 16.936 -3.752 1.00 0.00 C ATOM 938 CD2 LEU A 61 3.089 15.170 -2.098 1.00 0.00 C ATOM 0 H LEU A 61 6.881 13.538 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 61 6.203 16.268 -4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.645 14.411 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.470 14.146 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 61 4.805 16.435 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.067 17.633 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.577 17.483 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.193 16.429 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.427 15.889 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.534 14.617 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.475 14.475 -1.352 1.00 0.00 H new ATOM 950 N ILE A 62 7.944 15.396 -2.094 1.00 0.00 N ATOM 951 CA ILE A 62 8.742 15.931 -0.994 1.00 0.00 C ATOM 952 C ILE A 62 10.103 16.420 -1.494 1.00 0.00 C ATOM 953 O ILE A 62 10.931 16.914 -0.724 1.00 0.00 O ATOM 954 CB ILE A 62 8.941 14.888 0.127 1.00 0.00 C ATOM 955 CG1 ILE A 62 9.770 13.701 -0.372 1.00 0.00 C ATOM 956 CG2 ILE A 62 7.591 14.416 0.649 1.00 0.00 C ATOM 957 CD1 ILE A 62 10.071 12.680 0.703 1.00 0.00 C ATOM 0 H ILE A 62 7.941 14.378 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 62 8.190 16.775 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 62 9.487 15.360 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.236 13.212 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.709 14.071 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.743 13.681 1.439 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.037 15.266 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.025 13.962 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.661 11.868 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.633 13.154 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.137 12.282 1.098 1.00 0.00 H new ATOM 969 N LYS A 63 10.332 16.238 -2.785 1.00 0.00 N ATOM 970 CA LYS A 63 11.486 16.804 -3.460 1.00 0.00 C ATOM 971 C LYS A 63 11.189 18.251 -3.834 1.00 0.00 C ATOM 972 O LYS A 63 12.065 19.113 -3.777 1.00 0.00 O ATOM 973 CB LYS A 63 11.819 15.956 -4.696 1.00 0.00 C ATOM 974 CG LYS A 63 12.980 16.454 -5.540 1.00 0.00 C ATOM 975 CD LYS A 63 12.522 17.433 -6.606 1.00 0.00 C ATOM 976 CE LYS A 63 13.336 17.278 -7.877 1.00 0.00 C ATOM 977 NZ LYS A 63 13.178 15.919 -8.463 1.00 0.00 N ATOM 0 H LYS A 63 9.721 15.693 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 63 12.355 16.796 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.041 14.940 -4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.932 15.901 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.717 16.935 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.475 15.606 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.467 17.270 -6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.616 18.453 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.024 18.028 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.388 17.462 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.200 15.984 -9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.954 15.308 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.269 15.514 -8.160 1.00 0.00 H new ATOM 991 N VAL A 64 9.939 18.506 -4.208 1.00 0.00 N ATOM 992 CA VAL A 64 9.499 19.848 -4.556 1.00 0.00 C ATOM 993 C VAL A 64 9.495 20.743 -3.321 1.00 0.00 C ATOM 994 O VAL A 64 10.131 21.798 -3.302 1.00 0.00 O ATOM 995 CB VAL A 64 8.085 19.835 -5.184 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.629 21.245 -5.533 1.00 0.00 C ATOM 997 CG2 VAL A 64 8.056 18.944 -6.416 1.00 0.00 C ATOM 0 H VAL A 64 9.211 17.795 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 64 10.201 20.242 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 64 7.392 19.429 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.632 21.207 -5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.604 21.853 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.324 21.686 -6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.054 18.947 -6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.766 19.319 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.327 17.926 -6.135 1.00 0.00 H new ATOM 1007 N ARG A 65 8.783 20.306 -2.290 1.00 0.00 N ATOM 1008 CA ARG A 65 8.690 21.056 -1.044 1.00 0.00 C ATOM 1009 C ARG A 65 8.832 20.128 0.151 1.00 0.00 C ATOM 1010 O ARG A 65 9.327 19.014 0.025 1.00 0.00 O ATOM 1011 CB ARG A 65 7.361 21.810 -0.956 1.00 0.00 C ATOM 1012 CG ARG A 65 7.274 23.017 -1.872 1.00 0.00 C ATOM 1013 CD ARG A 65 6.045 23.850 -1.557 1.00 0.00 C ATOM 1014 NE ARG A 65 5.972 25.055 -2.378 1.00 0.00 N ATOM 1015 CZ ARG A 65 5.469 26.215 -1.959 1.00 0.00 C ATOM 1016 NH1 ARG A 65 5.025 26.342 -0.712 1.00 0.00 N ATOM 1017 NH2 ARG A 65 5.417 27.247 -2.786 1.00 0.00 N ATOM 0 H ARG A 65 8.259 19.431 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 65 9.504 21.780 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.549 21.124 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.207 22.136 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.170 23.628 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.239 22.688 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.150 23.249 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.058 24.130 -0.504 1.00 0.00 H new ATOM 0 HE ARG A 65 6.329 25.005 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.069 25.549 -0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.641 27.232 -0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.762 27.153 -3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.032 28.137 -2.468 1.00 0.00 H new ATOM 1031 N ARG A 66 8.407 20.596 1.314 1.00 0.00 N ATOM 1032 CA ARG A 66 8.500 19.805 2.533 1.00 0.00 C ATOM 1033 C ARG A 66 7.233 18.977 2.740 1.00 0.00 C ATOM 1034 O ARG A 66 6.146 19.387 2.332 1.00 0.00 O ATOM 1035 CB ARG A 66 8.717 20.705 3.755 1.00 0.00 C ATOM 1036 CG ARG A 66 10.095 21.346 3.853 1.00 0.00 C ATOM 1037 CD ARG A 66 10.315 22.423 2.800 1.00 0.00 C ATOM 1038 NE ARG A 66 11.240 23.452 3.272 1.00 0.00 N ATOM 1039 CZ ARG A 66 11.952 24.252 2.483 1.00 0.00 C ATOM 1040 NH1 ARG A 66 11.939 24.087 1.167 1.00 0.00 N ATOM 1041 NH2 ARG A 66 12.708 25.200 3.021 1.00 0.00 N ATOM 0 H ARG A 66 7.994 21.520 1.441 1.00 0.00 H new ATOM 0 HA ARG A 66 9.354 19.137 2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.967 21.495 3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.543 20.116 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.220 21.781 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.859 20.576 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.707 21.969 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.360 22.881 2.541 1.00 0.00 H new ATOM 0 HE ARG A 66 11.347 23.565 4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.380 23.342 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.488 24.705 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.741 25.312 4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.256 25.817 2.421 1.00 0.00 H new ATOM 1055 N PRO A 67 7.359 17.796 3.369 1.00 0.00 N ATOM 1056 CA PRO A 67 6.207 16.973 3.742 1.00 0.00 C ATOM 1057 C PRO A 67 5.422 17.622 4.881 1.00 0.00 C ATOM 1058 O PRO A 67 6.020 18.144 5.829 1.00 0.00 O ATOM 1059 CB PRO A 67 6.824 15.647 4.210 1.00 0.00 C ATOM 1060 CG PRO A 67 8.275 15.715 3.857 1.00 0.00 C ATOM 1061 CD PRO A 67 8.627 17.172 3.767 1.00 0.00 C ATOM 0 HA PRO A 67 5.507 16.845 2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.690 15.513 5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.344 14.800 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.881 15.216 4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 67 8.467 15.211 2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.986 17.560 4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.413 17.352 3.034 1.00 0.00 H new ATOM 1069 N LYS A 68 4.098 17.590 4.804 1.00 0.00 N ATOM 1070 CA LYS A 68 3.276 18.297 5.776 1.00 0.00 C ATOM 1071 C LYS A 68 3.011 17.429 7.002 1.00 0.00 C ATOM 1072 O LYS A 68 3.307 17.831 8.131 1.00 0.00 O ATOM 1073 CB LYS A 68 1.952 18.741 5.142 1.00 0.00 C ATOM 1074 CG LYS A 68 2.114 19.438 3.795 1.00 0.00 C ATOM 1075 CD LYS A 68 3.032 20.650 3.878 1.00 0.00 C ATOM 1076 CE LYS A 68 2.463 21.730 4.784 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.230 22.343 4.220 1.00 0.00 N ATOM 0 H LYS A 68 3.575 17.088 4.087 1.00 0.00 H new ATOM 0 HA LYS A 68 3.823 19.183 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.311 17.868 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.439 19.414 5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.514 18.731 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.136 19.750 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.009 20.341 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.186 21.058 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.240 21.302 5.761 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.214 22.505 4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.963 23.172 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.407 22.639 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.457 21.647 4.238 1.00 0.00 H new ATOM 1091 N TYR A 69 2.457 16.245 6.782 1.00 0.00 N ATOM 1092 CA TYR A 69 2.151 15.332 7.878 1.00 0.00 C ATOM 1093 C TYR A 69 2.794 13.972 7.646 1.00 0.00 C ATOM 1094 O TYR A 69 3.357 13.376 8.569 1.00 0.00 O ATOM 1095 CB TYR A 69 0.639 15.192 8.054 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.033 16.489 8.445 1.00 0.00 C ATOM 1097 CD1 TYR A 69 0.128 17.015 9.719 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -0.819 17.191 7.540 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -0.471 18.206 10.081 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -1.419 18.384 7.894 1.00 0.00 C ATOM 1101 CZ TYR A 69 -1.244 18.884 9.167 1.00 0.00 C ATOM 1102 OH TYR A 69 -1.841 20.074 9.526 1.00 0.00 O ATOM 0 H TYR A 69 2.210 15.893 5.857 1.00 0.00 H new ATOM 0 HA TYR A 69 2.566 15.750 8.795 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.203 14.829 7.123 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.436 14.440 8.816 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.732 16.484 10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.963 16.798 6.544 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.333 18.603 11.076 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.022 18.922 7.177 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.351 20.426 8.767 1.00 0.00 H new ATOM 1112 N VAL A 70 2.704 13.472 6.421 1.00 0.00 N ATOM 1113 CA VAL A 70 3.417 12.261 6.048 1.00 0.00 C ATOM 1114 C VAL A 70 4.925 12.488 6.188 1.00 0.00 C ATOM 1115 O VAL A 70 5.403 13.625 6.137 1.00 0.00 O ATOM 1116 CB VAL A 70 3.077 11.820 4.602 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.630 12.808 3.585 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.590 10.412 4.324 1.00 0.00 C ATOM 0 H VAL A 70 2.147 13.885 5.673 1.00 0.00 H new ATOM 0 HA VAL A 70 3.102 11.462 6.719 1.00 0.00 H new ATOM 0 HB VAL A 70 1.991 11.808 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.377 12.474 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.196 13.792 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.714 12.866 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.338 10.128 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.672 10.387 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.127 9.712 5.020 1.00 0.00 H new ATOM 1128 N HIS A 71 5.669 11.417 6.407 1.00 0.00 N ATOM 1129 CA HIS A 71 7.111 11.515 6.571 1.00 0.00 C ATOM 1130 C HIS A 71 7.806 10.524 5.656 1.00 0.00 C ATOM 1131 O HIS A 71 7.257 9.461 5.365 1.00 0.00 O ATOM 1132 CB HIS A 71 7.508 11.251 8.031 1.00 0.00 C ATOM 1133 CG HIS A 71 7.280 12.412 8.949 1.00 0.00 C ATOM 1134 ND1 HIS A 71 6.032 12.936 9.223 1.00 0.00 N ATOM 1135 CD2 HIS A 71 8.157 13.153 9.665 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.156 13.945 10.062 1.00 0.00 C ATOM 1137 NE2 HIS A 71 7.432 14.096 10.345 1.00 0.00 N ATOM 0 H HIS A 71 5.299 10.469 6.475 1.00 0.00 H new ATOM 0 HA HIS A 71 7.422 12.525 6.305 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.944 10.394 8.400 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.562 10.977 8.065 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.152 12.595 8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.229 13.025 9.695 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.347 14.546 10.451 1.00 0.00 H new ATOM 1146 N LYS A 72 9.008 10.874 5.207 1.00 0.00 N ATOM 1147 CA LYS A 72 9.802 9.993 4.354 1.00 0.00 C ATOM 1148 C LYS A 72 10.090 8.697 5.101 1.00 0.00 C ATOM 1149 O LYS A 72 10.105 7.615 4.516 1.00 0.00 O ATOM 1150 CB LYS A 72 11.112 10.682 3.957 1.00 0.00 C ATOM 1151 CG LYS A 72 11.903 9.940 2.890 1.00 0.00 C ATOM 1152 CD LYS A 72 13.166 10.700 2.506 1.00 0.00 C ATOM 1153 CE LYS A 72 14.181 10.719 3.639 1.00 0.00 C ATOM 1154 NZ LYS A 72 14.878 9.412 3.793 1.00 0.00 N ATOM 0 H LYS A 72 9.456 11.765 5.421 1.00 0.00 H new ATOM 0 HA LYS A 72 9.244 9.768 3.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.888 11.686 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.735 10.794 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.170 8.949 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.280 9.796 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.613 10.240 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.906 11.723 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.917 11.501 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.677 10.972 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.522 9.456 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.176 8.660 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.423 9.206 2.932 1.00 0.00 H new ATOM 1168 N GLU A 73 10.291 8.840 6.408 1.00 0.00 N ATOM 1169 CA GLU A 73 10.430 7.716 7.327 1.00 0.00 C ATOM 1170 C GLU A 73 9.307 6.701 7.110 1.00 0.00 C ATOM 1171 O GLU A 73 9.549 5.503 6.953 1.00 0.00 O ATOM 1172 CB GLU A 73 10.380 8.255 8.759 1.00 0.00 C ATOM 1173 CG GLU A 73 10.439 7.193 9.841 1.00 0.00 C ATOM 1174 CD GLU A 73 10.073 7.754 11.196 1.00 0.00 C ATOM 1175 OE1 GLU A 73 8.874 7.742 11.539 1.00 0.00 O ATOM 1176 OE2 GLU A 73 10.977 8.218 11.926 1.00 0.00 O ATOM 0 H GLU A 73 10.363 9.750 6.863 1.00 0.00 H new ATOM 0 HA GLU A 73 11.379 7.211 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.211 8.945 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.463 8.830 8.884 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.760 6.379 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.443 6.770 9.881 1.00 0.00 H new ATOM 1183 N GLN A 74 8.079 7.203 7.086 1.00 0.00 N ATOM 1184 CA GLN A 74 6.906 6.365 6.879 1.00 0.00 C ATOM 1185 C GLN A 74 6.819 5.867 5.442 1.00 0.00 C ATOM 1186 O GLN A 74 6.474 4.715 5.209 1.00 0.00 O ATOM 1187 CB GLN A 74 5.629 7.125 7.255 1.00 0.00 C ATOM 1188 CG GLN A 74 5.266 7.007 8.725 1.00 0.00 C ATOM 1189 CD GLN A 74 4.057 7.842 9.096 1.00 0.00 C ATOM 1190 OE1 GLN A 74 2.917 7.393 8.992 1.00 0.00 O ATOM 1191 NE2 GLN A 74 4.299 9.054 9.563 1.00 0.00 N ATOM 0 H GLN A 74 7.869 8.194 7.208 1.00 0.00 H new ATOM 0 HA GLN A 74 7.005 5.495 7.529 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.755 8.178 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.801 6.750 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.068 5.962 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.117 7.317 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.259 9.391 9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.526 9.653 9.852 1.00 0.00 H new ATOM 1200 N ILE A 75 7.143 6.731 4.489 1.00 0.00 N ATOM 1201 CA ILE A 75 7.070 6.381 3.071 1.00 0.00 C ATOM 1202 C ILE A 75 7.975 5.195 2.747 1.00 0.00 C ATOM 1203 O ILE A 75 7.562 4.252 2.066 1.00 0.00 O ATOM 1204 CB ILE A 75 7.454 7.586 2.179 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.483 8.747 2.410 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.470 7.187 0.709 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.884 10.025 1.707 1.00 0.00 C ATOM 0 H ILE A 75 7.460 7.683 4.670 1.00 0.00 H new ATOM 0 HA ILE A 75 6.038 6.102 2.861 1.00 0.00 H new ATOM 0 HB ILE A 75 8.458 7.911 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.490 8.452 2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.409 8.939 3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.742 8.050 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.198 6.391 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.481 6.835 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.149 10.802 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.863 10.345 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.930 9.850 0.632 1.00 0.00 H new ATOM 1219 N GLU A 76 9.196 5.229 3.261 1.00 0.00 N ATOM 1220 CA GLU A 76 10.161 4.172 2.997 1.00 0.00 C ATOM 1221 C GLU A 76 9.758 2.889 3.714 1.00 0.00 C ATOM 1222 O GLU A 76 9.986 1.784 3.218 1.00 0.00 O ATOM 1223 CB GLU A 76 11.563 4.619 3.415 1.00 0.00 C ATOM 1224 CG GLU A 76 12.070 5.813 2.618 1.00 0.00 C ATOM 1225 CD GLU A 76 13.438 6.290 3.061 1.00 0.00 C ATOM 1226 OE1 GLU A 76 14.451 5.757 2.560 1.00 0.00 O ATOM 1227 OE2 GLU A 76 13.506 7.216 3.894 1.00 0.00 O ATOM 0 H GLU A 76 9.542 5.977 3.863 1.00 0.00 H new ATOM 0 HA GLU A 76 10.174 3.968 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.556 4.873 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.256 3.786 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.110 5.546 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.358 6.633 2.713 1.00 0.00 H new ATOM 1234 N ALA A 77 9.131 3.042 4.872 1.00 0.00 N ATOM 1235 CA ALA A 77 8.643 1.901 5.630 1.00 0.00 C ATOM 1236 C ALA A 77 7.453 1.252 4.927 1.00 0.00 C ATOM 1237 O ALA A 77 7.447 0.044 4.694 1.00 0.00 O ATOM 1238 CB ALA A 77 8.258 2.323 7.039 1.00 0.00 C ATOM 0 H ALA A 77 8.949 3.947 5.307 1.00 0.00 H new ATOM 0 HA ALA A 77 9.446 1.167 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.895 1.457 7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.130 2.738 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.473 3.078 6.991 1.00 0.00 H new ATOM 1244 N VAL A 78 6.459 2.066 4.576 1.00 0.00 N ATOM 1245 CA VAL A 78 5.241 1.577 3.935 1.00 0.00 C ATOM 1246 C VAL A 78 5.559 0.866 2.629 1.00 0.00 C ATOM 1247 O VAL A 78 4.985 -0.180 2.332 1.00 0.00 O ATOM 1248 CB VAL A 78 4.234 2.723 3.681 1.00 0.00 C ATOM 1249 CG1 VAL A 78 3.080 2.265 2.800 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.706 3.248 5.004 1.00 0.00 C ATOM 0 H VAL A 78 6.475 3.075 4.727 1.00 0.00 H new ATOM 0 HA VAL A 78 4.782 0.864 4.620 1.00 0.00 H new ATOM 0 HB VAL A 78 4.756 3.523 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.391 3.095 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.468 1.927 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.553 1.445 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.997 4.055 4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.206 2.442 5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.535 3.624 5.603 1.00 0.00 H new ATOM 1260 N LYS A 79 6.490 1.428 1.869 1.00 0.00 N ATOM 1261 CA LYS A 79 6.923 0.836 0.610 1.00 0.00 C ATOM 1262 C LYS A 79 7.304 -0.633 0.786 1.00 0.00 C ATOM 1263 O LYS A 79 6.803 -1.508 0.079 1.00 0.00 O ATOM 1264 CB LYS A 79 8.106 1.643 0.049 1.00 0.00 C ATOM 1265 CG LYS A 79 8.878 0.956 -1.072 1.00 0.00 C ATOM 1266 CD LYS A 79 10.075 0.181 -0.529 1.00 0.00 C ATOM 1267 CE LYS A 79 10.717 -0.693 -1.588 1.00 0.00 C ATOM 1268 NZ LYS A 79 11.869 -1.462 -1.045 1.00 0.00 N ATOM 0 H LYS A 79 6.963 2.300 2.105 1.00 0.00 H new ATOM 0 HA LYS A 79 6.094 0.871 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.733 2.599 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.796 1.863 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.216 0.277 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.220 1.701 -1.790 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.814 0.882 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.755 -0.440 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.975 -1.384 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.054 -0.071 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.334 -1.982 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.550 -0.807 -0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.530 -2.135 -0.329 1.00 0.00 H new ATOM 1282 N ASP A 80 8.187 -0.893 1.735 1.00 0.00 N ATOM 1283 CA ASP A 80 8.717 -2.237 1.929 1.00 0.00 C ATOM 1284 C ASP A 80 7.716 -3.122 2.670 1.00 0.00 C ATOM 1285 O ASP A 80 7.549 -4.302 2.342 1.00 0.00 O ATOM 1286 CB ASP A 80 10.039 -2.171 2.687 1.00 0.00 C ATOM 1287 CG ASP A 80 11.007 -3.241 2.233 1.00 0.00 C ATOM 1288 OD1 ASP A 80 11.542 -3.117 1.111 1.00 0.00 O ATOM 1289 OD2 ASP A 80 11.251 -4.201 2.996 1.00 0.00 O ATOM 0 H ASP A 80 8.553 -0.195 2.383 1.00 0.00 H new ATOM 0 HA ASP A 80 8.892 -2.682 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.490 -1.189 2.544 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.851 -2.282 3.755 1.00 0.00 H new ATOM 1294 N ASN A 81 7.042 -2.536 3.655 1.00 0.00 N ATOM 1295 CA ASN A 81 6.052 -3.257 4.454 1.00 0.00 C ATOM 1296 C ASN A 81 4.877 -3.708 3.598 1.00 0.00 C ATOM 1297 O ASN A 81 4.307 -4.773 3.828 1.00 0.00 O ATOM 1298 CB ASN A 81 5.532 -2.386 5.605 1.00 0.00 C ATOM 1299 CG ASN A 81 6.549 -2.194 6.714 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.398 -3.051 6.952 1.00 0.00 O ATOM 1301 ND2 ASN A 81 6.460 -1.072 7.411 1.00 0.00 N ATOM 0 H ASN A 81 7.163 -1.559 3.921 1.00 0.00 H new ATOM 0 HA ASN A 81 6.550 -4.135 4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.243 -1.411 5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.633 -2.842 6.020 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.110 -0.894 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.741 -0.385 7.182 1.00 0.00 H new ATOM 1308 N PHE A 82 4.519 -2.896 2.611 1.00 0.00 N ATOM 1309 CA PHE A 82 3.402 -3.207 1.727 1.00 0.00 C ATOM 1310 C PHE A 82 3.672 -4.495 0.956 1.00 0.00 C ATOM 1311 O PHE A 82 2.782 -5.331 0.794 1.00 0.00 O ATOM 1312 CB PHE A 82 3.162 -2.047 0.759 1.00 0.00 C ATOM 1313 CG PHE A 82 1.878 -2.153 -0.010 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.662 -1.935 0.618 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.884 -2.466 -1.360 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.523 -2.026 -0.085 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.703 -2.557 -2.067 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.502 -2.338 -1.428 1.00 0.00 C ATOM 0 H PHE A 82 4.988 -2.014 2.402 1.00 0.00 H new ATOM 0 HA PHE A 82 2.507 -3.352 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 82 3.162 -1.112 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.993 -1.996 0.055 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.641 -1.691 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.823 -2.641 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.464 -1.853 0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.720 -2.799 -3.119 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.427 -2.411 -1.980 1.00 0.00 H new ATOM 1328 N LEU A 83 4.911 -4.656 0.502 1.00 0.00 N ATOM 1329 CA LEU A 83 5.311 -5.856 -0.222 1.00 0.00 C ATOM 1330 C LEU A 83 5.238 -7.084 0.684 1.00 0.00 C ATOM 1331 O LEU A 83 4.840 -8.171 0.249 1.00 0.00 O ATOM 1332 CB LEU A 83 6.723 -5.691 -0.790 1.00 0.00 C ATOM 1333 CG LEU A 83 6.849 -4.668 -1.921 1.00 0.00 C ATOM 1334 CD1 LEU A 83 8.299 -4.537 -2.361 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.966 -5.069 -3.095 1.00 0.00 C ATOM 0 H LEU A 83 5.655 -3.969 0.623 1.00 0.00 H new ATOM 0 HA LEU A 83 4.619 -6.003 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.392 -5.400 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.067 -6.659 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 83 6.515 -3.698 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.370 -3.805 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.907 -4.209 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.660 -5.502 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.065 -4.333 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.273 -6.047 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.927 -5.114 -2.770 1.00 0.00 H new ATOM 1347 N GLU A 84 5.615 -6.905 1.946 1.00 0.00 N ATOM 1348 CA GLU A 84 5.524 -7.985 2.920 1.00 0.00 C ATOM 1349 C GLU A 84 4.068 -8.274 3.267 1.00 0.00 C ATOM 1350 O GLU A 84 3.685 -9.427 3.429 1.00 0.00 O ATOM 1351 CB GLU A 84 6.309 -7.656 4.192 1.00 0.00 C ATOM 1352 CG GLU A 84 7.800 -7.483 3.964 1.00 0.00 C ATOM 1353 CD GLU A 84 8.584 -7.477 5.257 1.00 0.00 C ATOM 1354 OE1 GLU A 84 8.745 -6.398 5.859 1.00 0.00 O ATOM 1355 OE2 GLU A 84 9.052 -8.560 5.676 1.00 0.00 O ATOM 0 H GLU A 84 5.984 -6.029 2.316 1.00 0.00 H new ATOM 0 HA GLU A 84 5.964 -8.874 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.909 -6.741 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.152 -8.451 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.163 -8.289 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.977 -6.549 3.430 1.00 0.00 H new ATOM 1362 N LEU A 85 3.264 -7.221 3.364 1.00 0.00 N ATOM 1363 CA LEU A 85 1.845 -7.346 3.687 1.00 0.00 C ATOM 1364 C LEU A 85 1.155 -8.265 2.680 1.00 0.00 C ATOM 1365 O LEU A 85 0.486 -9.226 3.061 1.00 0.00 O ATOM 1366 CB LEU A 85 1.197 -5.952 3.687 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.179 -5.830 4.367 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.508 -4.369 4.629 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.281 -6.458 3.522 1.00 0.00 C ATOM 0 H LEU A 85 3.575 -6.260 3.222 1.00 0.00 H new ATOM 0 HA LEU A 85 1.734 -7.786 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.881 -5.259 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.096 -5.624 2.653 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.126 -6.369 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.483 -4.296 5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.251 -3.936 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.528 -3.825 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.237 -6.352 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.330 -5.956 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.065 -7.516 3.371 1.00 0.00 H new ATOM 1381 N VAL A 86 1.342 -7.968 1.398 1.00 0.00 N ATOM 1382 CA VAL A 86 0.734 -8.755 0.330 1.00 0.00 C ATOM 1383 C VAL A 86 1.168 -10.215 0.416 1.00 0.00 C ATOM 1384 O VAL A 86 0.340 -11.122 0.333 1.00 0.00 O ATOM 1385 CB VAL A 86 1.091 -8.192 -1.065 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.451 -9.025 -2.169 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.663 -6.736 -1.175 1.00 0.00 C ATOM 0 H VAL A 86 1.911 -7.186 1.073 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.346 -8.693 0.462 1.00 0.00 H new ATOM 0 HB VAL A 86 2.173 -8.246 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.717 -8.608 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.810 -10.052 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.633 -9.011 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.921 -6.354 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.414 -6.661 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.175 -6.148 -0.414 1.00 0.00 H new ATOM 1397 N LEU A 87 2.464 -10.433 0.608 1.00 0.00 N ATOM 1398 CA LEU A 87 3.003 -11.785 0.691 1.00 0.00 C ATOM 1399 C LEU A 87 2.463 -12.519 1.922 1.00 0.00 C ATOM 1400 O LEU A 87 1.995 -13.653 1.825 1.00 0.00 O ATOM 1401 CB LEU A 87 4.534 -11.741 0.728 1.00 0.00 C ATOM 1402 CG LEU A 87 5.226 -13.106 0.698 1.00 0.00 C ATOM 1403 CD1 LEU A 87 4.915 -13.835 -0.603 1.00 0.00 C ATOM 1404 CD2 LEU A 87 6.728 -12.946 0.881 1.00 0.00 C ATOM 0 H LEU A 87 3.159 -9.693 0.709 1.00 0.00 H new ATOM 0 HA LEU A 87 2.684 -12.333 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.885 -11.155 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.845 -11.214 1.630 1.00 0.00 H new ATOM 0 HG LEU A 87 4.843 -13.706 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.416 -14.803 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.838 -13.983 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.268 -13.241 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.204 -13.926 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.129 -12.328 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.929 -12.468 1.840 1.00 0.00 H new ATOM 1416 N GLN A 88 2.507 -11.854 3.071 1.00 0.00 N ATOM 1417 CA GLN A 88 2.096 -12.453 4.337 1.00 0.00 C ATOM 1418 C GLN A 88 0.620 -12.827 4.344 1.00 0.00 C ATOM 1419 O GLN A 88 0.218 -13.763 5.038 1.00 0.00 O ATOM 1420 CB GLN A 88 2.401 -11.505 5.496 1.00 0.00 C ATOM 1421 CG GLN A 88 3.869 -11.484 5.890 1.00 0.00 C ATOM 1422 CD GLN A 88 4.280 -12.719 6.674 1.00 0.00 C ATOM 1423 OE1 GLN A 88 3.702 -13.796 6.517 1.00 0.00 O ATOM 1424 NE2 GLN A 88 5.291 -12.574 7.515 1.00 0.00 N ATOM 0 H GLN A 88 2.827 -10.889 3.152 1.00 0.00 H new ATOM 0 HA GLN A 88 2.668 -13.373 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.092 -10.496 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.805 -11.797 6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.482 -11.408 4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.068 -10.595 6.488 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.744 -11.666 7.617 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.618 -13.371 8.062 1.00 0.00 H new ATOM 1433 N SER A 89 -0.178 -12.116 3.560 1.00 0.00 N ATOM 1434 CA SER A 89 -1.606 -12.386 3.481 1.00 0.00 C ATOM 1435 C SER A 89 -1.862 -13.744 2.820 1.00 0.00 C ATOM 1436 O SER A 89 -2.937 -14.323 2.973 1.00 0.00 O ATOM 1437 CB SER A 89 -2.317 -11.265 2.711 1.00 0.00 C ATOM 1438 OG SER A 89 -3.728 -11.381 2.809 1.00 0.00 O ATOM 0 H SER A 89 0.140 -11.347 2.969 1.00 0.00 H new ATOM 0 HA SER A 89 -2.010 -12.420 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.002 -10.297 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.020 -11.297 1.663 1.00 0.00 H new ATOM 0 HG SER A 89 -4.103 -10.540 3.145 1.00 0.00 H new ATOM 1444 N TYR A 90 -0.869 -14.260 2.099 1.00 0.00 N ATOM 1445 CA TYR A 90 -1.017 -15.542 1.421 1.00 0.00 C ATOM 1446 C TYR A 90 -0.154 -16.633 2.057 1.00 0.00 C ATOM 1447 O TYR A 90 -0.558 -17.792 2.103 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.694 -15.400 -0.066 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.683 -14.527 -0.810 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.967 -14.982 -1.080 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -1.342 -13.249 -1.231 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.882 -14.190 -1.746 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -2.253 -12.447 -1.894 1.00 0.00 C ATOM 1454 CZ TYR A 90 -3.521 -12.924 -2.152 1.00 0.00 C ATOM 1455 OH TYR A 90 -4.434 -12.131 -2.810 1.00 0.00 O ATOM 0 H TYR A 90 0.039 -13.813 1.971 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.057 -15.849 1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.306 -14.980 -0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.676 -16.389 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.255 -15.973 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.348 -12.874 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.876 -14.562 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.973 -11.452 -2.208 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.022 -11.268 -3.026 1.00 0.00 H new ATOM 1465 N VAL A 91 1.027 -16.271 2.550 1.00 0.00 N ATOM 1466 CA VAL A 91 1.912 -17.254 3.180 1.00 0.00 C ATOM 1467 C VAL A 91 1.530 -17.498 4.640 1.00 0.00 C ATOM 1468 O VAL A 91 1.848 -18.545 5.202 1.00 0.00 O ATOM 1469 CB VAL A 91 3.400 -16.848 3.094 1.00 0.00 C ATOM 1470 CG1 VAL A 91 3.876 -16.854 1.651 1.00 0.00 C ATOM 1471 CG2 VAL A 91 3.630 -15.484 3.720 1.00 0.00 C ATOM 0 H VAL A 91 1.392 -15.319 2.528 1.00 0.00 H new ATOM 0 HA VAL A 91 1.781 -18.179 2.619 1.00 0.00 H new ATOM 0 HB VAL A 91 3.979 -17.582 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.926 -16.565 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.759 -17.854 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.284 -16.147 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.686 -15.223 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.034 -14.738 3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.336 -15.511 4.769 1.00 0.00 H new ATOM 1481 N HIS A 92 0.863 -16.515 5.246 1.00 0.00 N ATOM 1482 CA HIS A 92 0.278 -16.661 6.585 1.00 0.00 C ATOM 1483 C HIS A 92 1.305 -17.012 7.667 1.00 0.00 C ATOM 1484 O HIS A 92 1.041 -17.875 8.504 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.826 -17.729 6.578 1.00 0.00 C ATOM 1486 CG HIS A 92 -2.157 -17.247 6.086 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -3.317 -17.353 6.827 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.518 -16.671 4.916 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -4.327 -16.866 6.134 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.872 -16.444 4.973 1.00 0.00 N ATOM 0 H HIS A 92 0.712 -15.597 4.827 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.136 -15.684 6.834 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.503 -18.563 5.954 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.946 -18.116 7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -1.863 -16.434 4.090 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.355 -16.821 6.463 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.433 -16.018 4.236 1.00 0.00 H new ATOM 1499 N HIS A 93 2.454 -16.343 7.695 1.00 0.00 N ATOM 1500 CA HIS A 93 3.376 -16.560 8.806 1.00 0.00 C ATOM 1501 C HIS A 93 3.609 -15.262 9.588 1.00 0.00 C ATOM 1502 O HIS A 93 4.665 -14.635 9.528 1.00 0.00 O ATOM 1503 CB HIS A 93 4.694 -17.254 8.377 1.00 0.00 C ATOM 1504 CG HIS A 93 5.674 -16.428 7.594 1.00 0.00 C ATOM 1505 ND1 HIS A 93 6.793 -15.852 8.164 1.00 0.00 N ATOM 1506 CD2 HIS A 93 5.723 -16.110 6.281 1.00 0.00 C ATOM 1507 CE1 HIS A 93 7.481 -15.219 7.235 1.00 0.00 C ATOM 1508 NE2 HIS A 93 6.855 -15.360 6.083 1.00 0.00 N ATOM 0 H HIS A 93 2.762 -15.672 6.991 1.00 0.00 H new ATOM 0 HA HIS A 93 2.898 -17.265 9.486 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.196 -17.614 9.275 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.438 -18.131 7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.004 -16.394 5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.402 -14.677 7.391 1.00 0.00 H new ATOM 0 HE2 HIS A 93 7.162 -14.974 5.190 1.00 0.00 H new ATOM 1517 N ILE A 94 2.565 -14.850 10.295 1.00 0.00 N ATOM 1518 CA ILE A 94 2.636 -13.729 11.220 1.00 0.00 C ATOM 1519 C ILE A 94 2.068 -14.165 12.560 1.00 0.00 C ATOM 1520 O ILE A 94 1.400 -15.200 12.640 1.00 0.00 O ATOM 1521 CB ILE A 94 1.872 -12.468 10.732 1.00 0.00 C ATOM 1522 CG1 ILE A 94 0.395 -12.775 10.417 1.00 0.00 C ATOM 1523 CG2 ILE A 94 2.565 -11.848 9.528 1.00 0.00 C ATOM 1524 CD1 ILE A 94 0.159 -13.460 9.084 1.00 0.00 C ATOM 0 H ILE A 94 1.644 -15.285 10.242 1.00 0.00 H new ATOM 0 HA ILE A 94 3.686 -13.447 11.298 1.00 0.00 H new ATOM 0 HB ILE A 94 1.885 -11.745 11.548 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.008 -13.405 11.210 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.168 -11.842 10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.012 -10.966 9.204 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.580 -11.559 9.801 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.600 -12.573 8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.908 -13.636 8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.527 -12.825 8.278 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.689 -14.412 9.066 1.00 0.00 H new ATOM 1536 N HIS A 95 2.330 -13.398 13.603 1.00 0.00 N ATOM 1537 CA HIS A 95 1.873 -13.770 14.931 1.00 0.00 C ATOM 1538 C HIS A 95 0.479 -13.213 15.190 1.00 0.00 C ATOM 1539 O HIS A 95 -0.491 -13.970 15.227 1.00 0.00 O ATOM 1540 CB HIS A 95 2.859 -13.296 16.001 1.00 0.00 C ATOM 1541 CG HIS A 95 2.708 -14.015 17.306 1.00 0.00 C ATOM 1542 ND1 HIS A 95 3.397 -15.171 17.606 1.00 0.00 N ATOM 1543 CD2 HIS A 95 1.947 -13.741 18.391 1.00 0.00 C ATOM 1544 CE1 HIS A 95 3.065 -15.576 18.814 1.00 0.00 C ATOM 1545 NE2 HIS A 95 2.188 -14.728 19.315 1.00 0.00 N ATOM 0 H HIS A 95 2.851 -12.522 13.559 1.00 0.00 H new ATOM 0 HA HIS A 95 1.822 -14.858 14.983 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.876 -13.433 15.634 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.721 -12.227 16.165 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.276 -12.903 18.508 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.447 -16.455 19.311 1.00 0.00 H new ATOM 0 HE2 HIS A 95 1.759 -14.794 20.238 1.00 0.00 H new ATOM 1554 N LYS A 96 0.374 -11.899 15.363 1.00 0.00 N ATOM 1555 CA LYS A 96 -0.926 -11.273 15.584 1.00 0.00 C ATOM 1556 C LYS A 96 -0.896 -9.777 15.272 1.00 0.00 C ATOM 1557 O LYS A 96 -1.438 -9.334 14.258 1.00 0.00 O ATOM 1558 CB LYS A 96 -1.397 -11.488 17.030 1.00 0.00 C ATOM 1559 CG LYS A 96 -2.780 -10.916 17.312 1.00 0.00 C ATOM 1560 CD LYS A 96 -3.158 -11.049 18.780 1.00 0.00 C ATOM 1561 CE LYS A 96 -4.537 -10.470 19.060 1.00 0.00 C ATOM 1562 NZ LYS A 96 -5.623 -11.266 18.426 1.00 0.00 N ATOM 0 H LYS A 96 1.163 -11.253 15.355 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.629 -11.750 14.901 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.404 -12.556 17.246 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -0.678 -11.030 17.709 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.804 -9.865 17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.519 -11.432 16.698 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.140 -12.100 19.067 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.417 -10.538 19.395 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.700 -10.430 20.137 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.579 -9.445 18.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.547 -10.894 18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.543 -11.199 17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.539 -12.261 18.716 1.00 0.00 H new ATOM 1576 N LYS A 97 -0.239 -9.003 16.133 1.00 0.00 N ATOM 1577 CA LYS A 97 -0.324 -7.547 16.058 1.00 0.00 C ATOM 1578 C LYS A 97 0.387 -6.994 14.828 1.00 0.00 C ATOM 1579 O LYS A 97 -0.005 -5.951 14.311 1.00 0.00 O ATOM 1580 CB LYS A 97 0.242 -6.891 17.324 1.00 0.00 C ATOM 1581 CG LYS A 97 1.737 -7.095 17.516 1.00 0.00 C ATOM 1582 CD LYS A 97 2.285 -6.294 18.692 1.00 0.00 C ATOM 1583 CE LYS A 97 2.403 -4.800 18.382 1.00 0.00 C ATOM 1584 NZ LYS A 97 1.084 -4.111 18.336 1.00 0.00 N ATOM 0 H LYS A 97 0.353 -9.356 16.885 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.383 -7.302 15.975 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.034 -5.822 17.290 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.282 -7.290 18.192 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.939 -8.154 17.675 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.261 -6.804 16.606 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.634 -6.432 19.556 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.266 -6.683 18.966 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.029 -4.326 19.138 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.908 -4.672 17.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.164 -3.177 18.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.788 -3.994 17.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.377 -4.680 18.844 1.00 0.00 H new ATOM 1598 N ARG A 98 1.415 -7.692 14.356 1.00 0.00 N ATOM 1599 CA ARG A 98 2.222 -7.201 13.241 1.00 0.00 C ATOM 1600 C ARG A 98 1.383 -6.989 11.986 1.00 0.00 C ATOM 1601 O ARG A 98 1.439 -5.924 11.380 1.00 0.00 O ATOM 1602 CB ARG A 98 3.377 -8.156 12.944 1.00 0.00 C ATOM 1603 CG ARG A 98 4.246 -7.717 11.776 1.00 0.00 C ATOM 1604 CD ARG A 98 5.478 -8.592 11.632 1.00 0.00 C ATOM 1605 NE ARG A 98 6.387 -8.444 12.767 1.00 0.00 N ATOM 1606 CZ ARG A 98 7.254 -9.377 13.151 1.00 0.00 C ATOM 1607 NH1 ARG A 98 7.316 -10.536 12.505 1.00 0.00 N ATOM 1608 NH2 ARG A 98 8.053 -9.151 14.184 1.00 0.00 N ATOM 0 H ARG A 98 1.709 -8.596 14.725 1.00 0.00 H new ATOM 0 HA ARG A 98 2.629 -6.235 13.540 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.999 -8.248 13.834 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.973 -9.146 12.733 1.00 0.00 H new ATOM 0 HG2 ARG A 98 3.664 -7.754 10.855 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.551 -6.680 11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.174 -9.635 11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.001 -8.333 10.712 1.00 0.00 H new ATOM 0 HE ARG A 98 6.355 -7.573 13.297 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.698 -10.712 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.982 -11.250 12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.002 -8.263 14.683 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.718 -9.865 14.480 1.00 0.00 H new ATOM 1622 N PHE A 99 0.593 -7.989 11.611 1.00 0.00 N ATOM 1623 CA PHE A 99 -0.213 -7.904 10.395 1.00 0.00 C ATOM 1624 C PHE A 99 -1.208 -6.751 10.499 1.00 0.00 C ATOM 1625 O PHE A 99 -1.419 -6.007 9.542 1.00 0.00 O ATOM 1626 CB PHE A 99 -0.951 -9.226 10.151 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.708 -9.266 8.850 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -1.054 -9.554 7.661 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -3.071 -9.017 8.817 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.747 -9.592 6.465 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.769 -9.054 7.624 1.00 0.00 C ATOM 1632 CZ PHE A 99 -3.105 -9.342 6.447 1.00 0.00 C ATOM 0 H PHE A 99 0.492 -8.863 12.127 1.00 0.00 H new ATOM 0 HA PHE A 99 0.450 -7.716 9.550 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.229 -10.043 10.166 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.647 -9.400 10.972 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.008 -9.751 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.594 -8.791 9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.227 -9.817 5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.831 -8.858 7.612 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.648 -9.372 5.514 1.00 0.00 H new ATOM 1642 N LYS A 100 -1.799 -6.600 11.675 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.757 -5.533 11.923 1.00 0.00 C ATOM 1644 C LYS A 100 -2.056 -4.179 11.887 1.00 0.00 C ATOM 1645 O LYS A 100 -2.512 -3.250 11.219 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.435 -5.771 13.280 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.567 -4.807 13.631 1.00 0.00 C ATOM 1648 CD LYS A 100 -4.049 -3.508 14.238 1.00 0.00 C ATOM 1649 CE LYS A 100 -5.169 -2.705 14.876 1.00 0.00 C ATOM 1650 NZ LYS A 100 -4.677 -1.433 15.462 1.00 0.00 N ATOM 0 H LYS A 100 -1.630 -7.207 12.477 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.520 -5.533 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.829 -6.787 13.296 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.676 -5.712 14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.142 -4.582 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.247 -5.288 14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.289 -3.733 14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.567 -2.911 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.932 -2.488 14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.646 -3.302 15.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.879 -1.420 16.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.651 -1.355 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.156 -0.632 15.004 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.941 -4.090 12.601 1.00 0.00 N ATOM 1665 CA ASP A 101 -0.178 -2.849 12.691 1.00 0.00 C ATOM 1666 C ASP A 101 0.317 -2.410 11.325 1.00 0.00 C ATOM 1667 O ASP A 101 0.173 -1.253 10.954 1.00 0.00 O ATOM 1668 CB ASP A 101 1.013 -3.015 13.634 1.00 0.00 C ATOM 1669 CG ASP A 101 1.824 -1.740 13.778 1.00 0.00 C ATOM 1670 OD1 ASP A 101 1.310 -0.765 14.369 1.00 0.00 O ATOM 1671 OD2 ASP A 101 2.980 -1.709 13.308 1.00 0.00 O ATOM 0 H ASP A 101 -0.542 -4.866 13.129 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.845 -2.082 13.085 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.655 -3.326 14.615 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.658 -3.812 13.263 1.00 0.00 H new ATOM 1676 N ILE A 102 0.895 -3.340 10.581 1.00 0.00 N ATOM 1677 CA ILE A 102 1.388 -3.041 9.242 1.00 0.00 C ATOM 1678 C ILE A 102 0.267 -2.515 8.344 1.00 0.00 C ATOM 1679 O ILE A 102 0.424 -1.482 7.695 1.00 0.00 O ATOM 1680 CB ILE A 102 2.045 -4.276 8.577 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.336 -4.649 9.308 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.324 -4.015 7.103 1.00 0.00 C ATOM 1683 CD1 ILE A 102 4.049 -5.850 8.720 1.00 0.00 C ATOM 0 H ILE A 102 1.035 -4.306 10.879 1.00 0.00 H new ATOM 0 HA ILE A 102 2.148 -2.268 9.357 1.00 0.00 H new ATOM 0 HB ILE A 102 1.349 -5.112 8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.011 -3.794 9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.104 -4.852 10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.785 -4.897 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.388 -3.797 6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.999 -3.164 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.954 -6.052 9.292 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.392 -6.719 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.314 -5.644 7.683 1.00 0.00 H new ATOM 1695 N THR A 103 -0.868 -3.216 8.327 1.00 0.00 N ATOM 1696 CA THR A 103 -1.996 -2.818 7.493 1.00 0.00 C ATOM 1697 C THR A 103 -2.474 -1.414 7.873 1.00 0.00 C ATOM 1698 O THR A 103 -2.667 -0.553 7.014 1.00 0.00 O ATOM 1699 CB THR A 103 -3.164 -3.821 7.619 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.700 -5.152 7.342 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.290 -3.471 6.656 1.00 0.00 C ATOM 0 H THR A 103 -1.027 -4.058 8.880 1.00 0.00 H new ATOM 0 HA THR A 103 -1.657 -2.812 6.457 1.00 0.00 H new ATOM 0 HB THR A 103 -3.546 -3.768 8.639 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.396 -5.572 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.100 -4.193 6.765 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.662 -2.471 6.880 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.915 -3.498 5.633 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.616 -1.189 9.170 1.00 0.00 N ATOM 1710 CA GLU A 104 -3.070 0.083 9.701 1.00 0.00 C ATOM 1711 C GLU A 104 -2.073 1.189 9.402 1.00 0.00 C ATOM 1712 O GLU A 104 -2.452 2.273 8.970 1.00 0.00 O ATOM 1713 CB GLU A 104 -3.247 -0.059 11.205 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.824 1.163 11.876 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.003 0.959 13.362 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -3.034 1.176 14.117 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -5.108 0.555 13.780 1.00 0.00 O ATOM 0 H GLU A 104 -2.418 -1.888 9.886 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.015 0.351 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.897 -0.911 11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.280 -0.284 11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.168 2.016 11.703 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.786 1.405 11.424 1.00 0.00 H new ATOM 1724 N SER A 105 -0.805 0.900 9.644 1.00 0.00 N ATOM 1725 CA SER A 105 0.268 1.855 9.406 1.00 0.00 C ATOM 1726 C SER A 105 0.266 2.303 7.945 1.00 0.00 C ATOM 1727 O SER A 105 0.313 3.499 7.653 1.00 0.00 O ATOM 1728 CB SER A 105 1.618 1.224 9.777 1.00 0.00 C ATOM 1729 OG SER A 105 2.616 2.209 9.980 1.00 0.00 O ATOM 0 H SER A 105 -0.490 0.001 10.009 1.00 0.00 H new ATOM 0 HA SER A 105 0.108 2.733 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 105 1.505 0.628 10.682 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.933 0.544 8.985 1.00 0.00 H new ATOM 0 HG SER A 105 3.462 1.774 10.216 1.00 0.00 H new ATOM 1735 N VAL A 106 0.175 1.335 7.034 1.00 0.00 N ATOM 1736 CA VAL A 106 0.111 1.627 5.606 1.00 0.00 C ATOM 1737 C VAL A 106 -1.104 2.496 5.288 1.00 0.00 C ATOM 1738 O VAL A 106 -0.981 3.527 4.624 1.00 0.00 O ATOM 1739 CB VAL A 106 0.057 0.330 4.763 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.182 0.639 3.292 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.341 -0.467 4.931 1.00 0.00 C ATOM 0 H VAL A 106 0.144 0.341 7.262 1.00 0.00 H new ATOM 0 HA VAL A 106 1.020 2.169 5.345 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.780 -0.269 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.215 -0.292 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.130 1.166 3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.627 1.265 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.286 -1.376 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.188 0.134 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.470 -0.732 5.980 1.00 0.00 H new ATOM 1751 N LEU A 107 -2.271 2.085 5.778 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.503 2.839 5.563 1.00 0.00 C ATOM 1753 C LEU A 107 -3.374 4.257 6.098 1.00 0.00 C ATOM 1754 O LEU A 107 -3.720 5.215 5.413 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.689 2.145 6.235 1.00 0.00 C ATOM 1756 CG LEU A 107 -5.076 0.794 5.637 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -6.179 0.146 6.456 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.516 0.961 4.190 1.00 0.00 C ATOM 0 H LEU A 107 -2.389 1.233 6.327 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.678 2.882 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.456 2.004 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.553 2.807 6.185 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.202 0.143 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.442 -0.816 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.832 -0.006 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.056 0.794 6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.788 -0.011 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.377 1.628 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.698 1.385 3.608 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.876 4.379 7.323 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.676 5.680 7.956 1.00 0.00 C ATOM 1772 C TYR A 108 -1.811 6.590 7.084 1.00 0.00 C ATOM 1773 O TYR A 108 -2.192 7.726 6.792 1.00 0.00 O ATOM 1774 CB TYR A 108 -2.037 5.506 9.338 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.803 6.807 10.078 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -2.832 7.430 10.776 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -0.552 7.414 10.076 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -2.620 8.618 11.451 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -0.333 8.601 10.749 1.00 0.00 C ATOM 1780 CZ TYR A 108 -1.369 9.198 11.432 1.00 0.00 C ATOM 1781 OH TYR A 108 -1.153 10.380 12.105 1.00 0.00 O ATOM 0 H TYR A 108 -2.601 3.586 7.903 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.652 6.152 8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.677 4.865 9.945 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -1.084 4.989 9.224 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.813 6.978 10.791 1.00 0.00 H new ATOM 0 HD2 TYR A 108 0.262 6.950 9.539 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.429 9.089 11.990 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.646 9.058 10.739 1.00 0.00 H new ATOM 0 HH TYR A 108 -0.219 10.654 11.993 1.00 0.00 H new ATOM 1791 N THR A 109 -0.659 6.084 6.659 1.00 0.00 N ATOM 1792 CA THR A 109 0.242 6.853 5.814 1.00 0.00 C ATOM 1793 C THR A 109 -0.435 7.224 4.494 1.00 0.00 C ATOM 1794 O THR A 109 -0.351 8.366 4.046 1.00 0.00 O ATOM 1795 CB THR A 109 1.542 6.072 5.534 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.181 5.718 6.769 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.504 6.890 4.687 1.00 0.00 C ATOM 0 H THR A 109 -0.329 5.146 6.886 1.00 0.00 H new ATOM 0 HA THR A 109 0.495 7.768 6.350 1.00 0.00 H new ATOM 0 HB THR A 109 1.276 5.169 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.296 6.520 7.320 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.411 6.313 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.033 7.134 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.758 7.811 5.212 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.128 6.263 3.890 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.837 6.503 2.638 1.00 0.00 C ATOM 1807 C LEU A 110 -2.922 7.561 2.811 1.00 0.00 C ATOM 1808 O LEU A 110 -3.126 8.401 1.936 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.453 5.203 2.113 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.448 4.136 1.674 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.169 2.864 1.263 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.582 4.646 0.532 1.00 0.00 C ATOM 0 H LEU A 110 -1.213 5.311 4.247 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.113 6.872 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.090 4.781 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.098 5.441 1.267 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.800 3.911 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.439 2.116 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.744 2.483 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.842 3.079 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.125 3.870 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.215 4.903 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.035 5.531 0.857 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.603 7.526 3.952 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.650 8.502 4.243 1.00 0.00 C ATOM 1826 C HIS A 111 -4.049 9.897 4.390 1.00 0.00 C ATOM 1827 O HIS A 111 -4.649 10.886 3.971 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.415 8.136 5.527 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.205 6.861 5.453 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -6.751 6.250 6.565 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.545 6.080 4.397 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -7.391 5.158 6.196 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -7.282 5.032 4.889 1.00 0.00 N ATOM 0 H HIS A 111 -3.451 6.836 4.688 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.350 8.493 3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.701 8.057 6.347 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.094 8.953 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.284 6.251 3.363 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -7.916 4.481 6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.681 4.277 4.332 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.857 9.958 4.978 1.00 0.00 N ATOM 1843 CA ALA A 112 -2.151 11.221 5.167 1.00 0.00 C ATOM 1844 C ALA A 112 -1.758 11.821 3.825 1.00 0.00 C ATOM 1845 O ALA A 112 -2.042 12.987 3.551 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.919 11.015 6.036 1.00 0.00 C ATOM 0 H ALA A 112 -2.358 9.142 5.333 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.821 11.917 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.403 11.966 6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.221 10.628 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.249 10.303 5.554 1.00 0.00 H new ATOM 1852 N VAL A 113 -1.150 10.997 2.978 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.701 11.439 1.663 1.00 0.00 C ATOM 1854 C VAL A 113 -1.892 11.896 0.833 1.00 0.00 C ATOM 1855 O VAL A 113 -1.857 12.954 0.207 1.00 0.00 O ATOM 1856 CB VAL A 113 0.046 10.311 0.913 1.00 0.00 C ATOM 1857 CG1 VAL A 113 0.510 10.783 -0.456 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.228 9.811 1.728 1.00 0.00 C ATOM 0 H VAL A 113 -0.956 10.016 3.180 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.011 12.270 1.809 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.651 9.485 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.032 9.972 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.354 11.085 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.184 11.631 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.738 9.018 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.921 10.633 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.873 9.423 2.683 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.950 11.094 0.858 1.00 0.00 N ATOM 1869 CA LYS A 114 -4.169 11.407 0.129 1.00 0.00 C ATOM 1870 C LYS A 114 -4.709 12.775 0.526 1.00 0.00 C ATOM 1871 O LYS A 114 -5.031 13.605 -0.330 1.00 0.00 O ATOM 1872 CB LYS A 114 -5.237 10.343 0.392 1.00 0.00 C ATOM 1873 CG LYS A 114 -6.574 10.674 -0.257 1.00 0.00 C ATOM 1874 CD LYS A 114 -7.565 9.526 -0.175 1.00 0.00 C ATOM 1875 CE LYS A 114 -8.866 9.894 -0.875 1.00 0.00 C ATOM 1876 NZ LYS A 114 -9.805 8.746 -0.976 1.00 0.00 N ATOM 0 H LYS A 114 -2.986 10.218 1.379 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.925 11.421 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.885 9.382 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.378 10.234 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.001 11.552 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.411 10.934 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.137 8.635 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.763 9.282 0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.349 10.707 -0.333 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.644 10.266 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.613 9.010 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.313 7.931 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -10.147 8.493 -0.027 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.795 13.009 1.829 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.391 14.234 2.338 1.00 0.00 C ATOM 1892 C ASP A 115 -4.522 15.442 2.008 1.00 0.00 C ATOM 1893 O ASP A 115 -5.033 16.475 1.592 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.617 14.148 3.847 1.00 0.00 C ATOM 1895 CG ASP A 115 -6.591 15.202 4.329 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -6.191 16.372 4.467 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -7.773 14.865 4.556 1.00 0.00 O ATOM 0 H ASP A 115 -4.461 12.369 2.549 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.357 14.357 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.996 13.158 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.665 14.268 4.365 1.00 0.00 H new ATOM 1902 N GLU A 116 -3.210 15.300 2.186 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.260 16.358 1.852 1.00 0.00 C ATOM 1904 C GLU A 116 -2.353 16.730 0.371 1.00 0.00 C ATOM 1905 O GLU A 116 -2.357 17.913 0.024 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.834 15.931 2.222 1.00 0.00 C ATOM 1907 CG GLU A 116 -0.591 15.904 3.725 1.00 0.00 C ATOM 1908 CD GLU A 116 0.781 15.374 4.105 1.00 0.00 C ATOM 1909 OE1 GLU A 116 1.792 16.052 3.822 1.00 0.00 O ATOM 1910 OE2 GLU A 116 0.852 14.298 4.728 1.00 0.00 O ATOM 0 H GLU A 116 -2.779 14.456 2.563 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.515 17.244 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.639 14.941 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.124 16.615 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -0.705 16.913 4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -1.355 15.287 4.198 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.453 15.723 -0.496 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.624 15.963 -1.928 1.00 0.00 C ATOM 1919 C ILE A 117 -3.913 16.743 -2.188 1.00 0.00 C ATOM 1920 O ILE A 117 -3.903 17.777 -2.857 1.00 0.00 O ATOM 1921 CB ILE A 117 -2.656 14.642 -2.733 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -1.311 13.916 -2.627 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -3.000 14.914 -4.195 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -1.305 12.553 -3.290 1.00 0.00 C ATOM 0 H ILE A 117 -2.419 14.738 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.766 16.547 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 117 -3.429 14.001 -2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -0.537 14.535 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -1.052 13.800 -1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -3.018 13.973 -4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.979 15.389 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -2.249 15.574 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -0.321 12.097 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -2.056 11.917 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -1.533 12.663 -4.350 1.00 0.00 H new ATOM 1936 N ALA A 118 -5.012 16.258 -1.624 1.00 0.00 N ATOM 1937 CA ALA A 118 -6.314 16.893 -1.804 1.00 0.00 C ATOM 1938 C ALA A 118 -6.385 18.241 -1.090 1.00 0.00 C ATOM 1939 O ALA A 118 -7.259 19.062 -1.365 1.00 0.00 O ATOM 1940 CB ALA A 118 -7.418 15.975 -1.308 1.00 0.00 C ATOM 0 H ALA A 118 -5.029 15.425 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 118 -6.452 17.075 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.384 16.460 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.395 15.042 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.267 15.764 -0.249 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.468 18.461 -0.165 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.407 19.716 0.560 1.00 0.00 C ATOM 1948 C ARG A 119 -4.619 20.743 -0.248 1.00 0.00 C ATOM 1949 O ARG A 119 -4.738 21.948 -0.038 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.794 19.486 1.947 1.00 0.00 C ATOM 1951 CG ARG A 119 -4.858 20.700 2.857 1.00 0.00 C ATOM 1952 CD ARG A 119 -4.501 20.343 4.291 1.00 0.00 C ATOM 1953 NE ARG A 119 -5.291 19.211 4.788 1.00 0.00 N ATOM 1954 CZ ARG A 119 -6.119 19.272 5.834 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -6.339 20.424 6.456 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -6.750 18.177 6.231 1.00 0.00 N ATOM 0 H ARG A 119 -4.753 17.784 0.102 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.413 20.110 0.704 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.310 18.656 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.752 19.188 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.175 21.466 2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.861 21.126 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.440 20.099 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.665 21.209 4.932 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.202 18.318 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -5.874 21.273 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.973 20.460 7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -6.602 17.296 5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.384 18.215 7.029 1.00 0.00 H new ATOM 1970 N GLU A 120 -3.826 20.248 -1.191 1.00 0.00 N ATOM 1971 CA GLU A 120 -3.111 21.105 -2.125 1.00 0.00 C ATOM 1972 C GLU A 120 -3.984 21.416 -3.338 1.00 0.00 C ATOM 1973 O GLU A 120 -4.162 22.580 -3.709 1.00 0.00 O ATOM 1974 CB GLU A 120 -1.814 20.439 -2.572 1.00 0.00 C ATOM 1975 CG GLU A 120 -0.737 20.419 -1.498 1.00 0.00 C ATOM 1976 CD GLU A 120 -0.262 21.810 -1.137 1.00 0.00 C ATOM 1977 OE1 GLU A 120 0.299 22.494 -2.021 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -0.435 22.222 0.027 1.00 0.00 O ATOM 0 H GLU A 120 -3.662 19.251 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.869 22.039 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.028 19.415 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.431 20.961 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.125 19.927 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.109 19.827 -1.846 1.00 0.00 H new