USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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 92 GLN : amide:sc= -0.674 X(o=-0.99,f=-0.86) USER MOD Set 1.2: A 105 SER OG : rot -83:sc= -0.316 USER MOD Set 2.1: A 10 ASN : amide:sc= -0.174 K(o=0.7,f=-6.4!) USER MOD Set 2.2: A 15 THR OG1 : rot -96:sc= 0.565 USER MOD Set 2.3: A 72 HIS : no HE2:sc= 0.312 K(o=0.7,f=-8.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.7!) USER MOD Single : A 18 MET CE :methyl -153:sc= -1.83 (180deg=-3.33!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.673 F(o=-1.7,f=-0.67) USER MOD Single : A 24 THR OG1 : rot 97:sc= 0.528 USER MOD Single : A 27 ASN :FLIP amide:sc= -2.68! C(o=-5.4!,f=-2.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -159:sc= 1.24 USER MOD Single : A 42 GLN : amide:sc= -0.825 X(o=-0.83,f=-0.8) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00434 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 0:sc= -1.05 USER MOD Single : A 53 TYR OH : rot -2:sc= 0.00137 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= -0.258 (180deg=-1.89!) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc=-0.00811 (180deg=-0.128) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 23:sc= 0.0514 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.0282 (180deg=-0.253) USER MOD Single : A 85 MET CE :methyl 159:sc= -1.88! (180deg=-3.23!) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.0843 USER MOD Single : A 89 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.36) USER MOD Single : A 90 ASN : amide:sc= -4.23 K(o=-4.2,f=-9.6!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -3.97! C(o=-4!,f=-9.3!) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00359 USER MOD Single : A 100 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.066) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N ASN A 10 1.442 11.185 4.112 1.00 0.00 N ATOM 92 CA ASN A 10 0.205 10.903 3.393 1.00 0.00 C ATOM 93 C ASN A 10 -1.011 11.282 4.233 1.00 0.00 C ATOM 94 O ASN A 10 -0.972 11.277 5.464 1.00 0.00 O ATOM 95 CB ASN A 10 0.136 9.422 3.016 1.00 0.00 C ATOM 96 CG ASN A 10 0.867 8.538 4.008 1.00 0.00 C ATOM 97 OD1 ASN A 10 0.677 8.656 5.219 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.709 7.646 3.498 1.00 0.00 N ATOM 0 HA ASN A 10 0.198 11.504 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.908 9.113 2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 10 0.565 9.282 2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.229 7.024 4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.835 7.583 2.488 1.00 0.00 H new ATOM 105 N PRO A 11 -2.117 11.620 3.554 1.00 0.00 N ATOM 106 CA PRO A 11 -3.366 12.007 4.217 1.00 0.00 C ATOM 107 C PRO A 11 -4.037 10.832 4.921 1.00 0.00 C ATOM 108 O PRO A 11 -3.650 9.675 4.756 1.00 0.00 O ATOM 109 CB PRO A 11 -4.238 12.510 3.065 1.00 0.00 C ATOM 110 CG PRO A 11 -3.712 11.812 1.858 1.00 0.00 C ATOM 111 CD PRO A 11 -2.235 11.648 2.086 1.00 0.00 C ATOM 0 HA PRO A 11 -3.200 12.748 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.289 12.274 3.232 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.167 13.592 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.196 10.845 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.906 12.392 0.956 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.858 10.730 1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.668 12.472 1.653 1.00 0.00 H new ATOM 119 N PRO A 12 -5.068 11.133 5.724 1.00 0.00 N ATOM 120 CA PRO A 12 -5.816 10.115 6.467 1.00 0.00 C ATOM 121 C PRO A 12 -6.658 9.232 5.554 1.00 0.00 C ATOM 122 O PRO A 12 -6.809 8.034 5.797 1.00 0.00 O ATOM 123 CB PRO A 12 -6.715 10.940 7.392 1.00 0.00 C ATOM 124 CG PRO A 12 -6.877 12.247 6.695 1.00 0.00 C ATOM 125 CD PRO A 12 -5.584 12.491 5.967 1.00 0.00 C ATOM 0 HA PRO A 12 -5.155 9.428 6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.677 10.452 7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.261 11.069 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.716 12.217 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.081 13.047 7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.744 13.033 5.035 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.891 13.083 6.565 1.00 0.00 H new ATOM 133 N LYS A 13 -7.206 9.830 4.501 1.00 0.00 N ATOM 134 CA LYS A 13 -8.033 9.097 3.549 1.00 0.00 C ATOM 135 C LYS A 13 -7.216 8.030 2.828 1.00 0.00 C ATOM 136 O LYS A 13 -7.704 6.929 2.570 1.00 0.00 O ATOM 137 CB LYS A 13 -8.647 10.060 2.530 1.00 0.00 C ATOM 138 CG LYS A 13 -9.878 10.786 3.044 1.00 0.00 C ATOM 139 CD LYS A 13 -11.091 9.871 3.079 1.00 0.00 C ATOM 140 CE LYS A 13 -11.757 9.776 1.715 1.00 0.00 C ATOM 141 NZ LYS A 13 -13.024 8.995 1.770 1.00 0.00 N ATOM 0 H LYS A 13 -7.092 10.820 4.285 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.832 8.605 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.897 10.795 2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.913 9.504 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.683 11.171 4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.087 11.645 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.789 8.877 3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.808 10.244 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.964 10.779 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.072 9.308 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.447 8.953 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.823 8.030 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.688 9.456 2.425 1.00 0.00 H new ATOM 155 N LEU A 14 -5.970 8.362 2.506 1.00 0.00 N ATOM 156 CA LEU A 14 -5.085 7.430 1.815 1.00 0.00 C ATOM 157 C LEU A 14 -4.464 6.441 2.796 1.00 0.00 C ATOM 158 O LEU A 14 -4.639 5.228 2.666 1.00 0.00 O ATOM 159 CB LEU A 14 -3.983 8.195 1.079 1.00 0.00 C ATOM 160 CG LEU A 14 -3.198 7.400 0.035 1.00 0.00 C ATOM 161 CD1 LEU A 14 -2.498 8.339 -0.935 1.00 0.00 C ATOM 162 CD2 LEU A 14 -2.191 6.481 0.711 1.00 0.00 C ATOM 0 H LEU A 14 -5.550 9.268 2.712 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.678 6.872 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.433 9.057 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.280 8.580 1.818 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.900 6.785 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.944 7.756 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.239 8.955 -1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.808 8.980 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.641 5.923 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.493 7.076 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.716 5.784 1.365 1.00 0.00 H new ATOM 174 N THR A 15 -3.740 6.965 3.780 1.00 0.00 N ATOM 175 CA THR A 15 -3.094 6.128 4.783 1.00 0.00 C ATOM 176 C THR A 15 -4.022 5.010 5.246 1.00 0.00 C ATOM 177 O THR A 15 -3.652 3.836 5.231 1.00 0.00 O ATOM 178 CB THR A 15 -2.656 6.956 6.006 1.00 0.00 C ATOM 179 OG1 THR A 15 -1.760 7.996 5.599 1.00 0.00 O ATOM 180 CG2 THR A 15 -1.977 6.072 7.042 1.00 0.00 C ATOM 0 H THR A 15 -3.586 7.966 3.904 1.00 0.00 H new ATOM 0 HA THR A 15 -2.212 5.693 4.313 1.00 0.00 H new ATOM 0 HB THR A 15 -3.545 7.399 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.835 7.698 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.676 6.678 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.671 5.299 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.097 5.605 6.601 1.00 0.00 H new ATOM 188 N LYS A 16 -5.229 5.382 5.657 1.00 0.00 N ATOM 189 CA LYS A 16 -6.212 4.411 6.123 1.00 0.00 C ATOM 190 C LYS A 16 -6.501 3.370 5.046 1.00 0.00 C ATOM 191 O LYS A 16 -6.550 2.172 5.326 1.00 0.00 O ATOM 192 CB LYS A 16 -7.508 5.118 6.525 1.00 0.00 C ATOM 193 CG LYS A 16 -8.629 4.165 6.902 1.00 0.00 C ATOM 194 CD LYS A 16 -8.520 3.721 8.351 1.00 0.00 C ATOM 195 CE LYS A 16 -9.810 3.077 8.835 1.00 0.00 C ATOM 196 NZ LYS A 16 -9.603 2.292 10.084 1.00 0.00 N ATOM 0 H LYS A 16 -5.551 6.350 5.677 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.798 3.902 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.305 5.779 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.840 5.747 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.591 4.652 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.600 3.292 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.698 3.013 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.283 4.580 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.558 3.850 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.204 2.424 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.505 1.869 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.908 1.538 9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.251 2.920 10.834 1.00 0.00 H new ATOM 210 N GLN A 17 -6.691 3.835 3.816 1.00 0.00 N ATOM 211 CA GLN A 17 -6.974 2.944 2.698 1.00 0.00 C ATOM 212 C GLN A 17 -6.163 1.657 2.809 1.00 0.00 C ATOM 213 O GLN A 17 -6.718 0.558 2.790 1.00 0.00 O ATOM 214 CB GLN A 17 -6.668 3.641 1.371 1.00 0.00 C ATOM 215 CG GLN A 17 -7.152 2.871 0.153 1.00 0.00 C ATOM 216 CD GLN A 17 -8.611 3.137 -0.163 1.00 0.00 C ATOM 217 OE1 GLN A 17 -9.147 4.194 0.169 1.00 0.00 O ATOM 218 NE2 GLN A 17 -9.261 2.176 -0.810 1.00 0.00 N ATOM 0 H GLN A 17 -6.654 4.824 3.568 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.033 2.689 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.130 4.628 1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.592 3.793 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.542 3.141 -0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.009 1.804 0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.777 1.316 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.244 2.299 -1.051 1.00 0.00 H new ATOM 227 N MET A 18 -4.847 1.801 2.923 1.00 0.00 N ATOM 228 CA MET A 18 -3.960 0.649 3.038 1.00 0.00 C ATOM 229 C MET A 18 -4.439 -0.300 4.132 1.00 0.00 C ATOM 230 O MET A 18 -4.685 -1.478 3.880 1.00 0.00 O ATOM 231 CB MET A 18 -2.530 1.107 3.334 1.00 0.00 C ATOM 232 CG MET A 18 -1.854 1.789 2.156 1.00 0.00 C ATOM 233 SD MET A 18 -2.104 3.575 2.149 1.00 0.00 S ATOM 234 CE MET A 18 -0.474 4.143 1.673 1.00 0.00 C ATOM 0 H MET A 18 -4.371 2.703 2.938 1.00 0.00 H new ATOM 0 HA MET A 18 -3.974 0.115 2.088 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.545 1.793 4.181 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.936 0.244 3.634 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.785 1.576 2.182 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.240 1.369 1.227 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.308 5.145 2.069 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.279 3.465 2.074 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.400 4.165 0.586 1.00 0.00 H new ATOM 244 N ASN A 19 -4.569 0.223 5.347 1.00 0.00 N ATOM 245 CA ASN A 19 -5.018 -0.579 6.480 1.00 0.00 C ATOM 246 C ASN A 19 -6.390 -1.187 6.206 1.00 0.00 C ATOM 247 O ASN A 19 -6.548 -2.407 6.191 1.00 0.00 O ATOM 248 CB ASN A 19 -5.070 0.276 7.748 1.00 0.00 C ATOM 249 CG ASN A 19 -3.697 0.753 8.180 1.00 0.00 C ATOM 250 OD1 ASN A 19 -3.473 2.060 8.101 1.00 0.00 O flip ATOM 251 ND2 ASN A 19 -2.847 -0.043 8.579 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.370 1.198 5.572 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.304 -1.389 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.714 1.139 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.521 -0.302 8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.062 -1.039 8.623 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.928 0.294 8.865 1.00 0.00 H new ATOM 258 N ALA A 20 -7.380 -0.326 5.990 1.00 0.00 N ATOM 259 CA ALA A 20 -8.738 -0.778 5.714 1.00 0.00 C ATOM 260 C ALA A 20 -8.733 -2.055 4.881 1.00 0.00 C ATOM 261 O ALA A 20 -9.636 -2.884 4.995 1.00 0.00 O ATOM 262 CB ALA A 20 -9.523 0.315 5.003 1.00 0.00 C ATOM 0 H ALA A 20 -7.267 0.688 6.001 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.222 -0.998 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.535 -0.036 4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.565 1.202 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.032 0.562 4.062 1.00 0.00 H new ATOM 268 N ILE A 21 -7.713 -2.206 4.044 1.00 0.00 N ATOM 269 CA ILE A 21 -7.591 -3.383 3.193 1.00 0.00 C ATOM 270 C ILE A 21 -6.970 -4.550 3.953 1.00 0.00 C ATOM 271 O ILE A 21 -7.486 -5.668 3.924 1.00 0.00 O ATOM 272 CB ILE A 21 -6.741 -3.089 1.943 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.479 -2.123 1.014 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.406 -4.381 1.214 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.561 -1.349 0.094 1.00 0.00 C ATOM 0 H ILE A 21 -6.959 -1.528 3.937 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.600 -3.652 2.881 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.809 -2.620 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.194 -2.685 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.053 -1.420 1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.805 -4.156 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.845 -5.038 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.328 -4.876 0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.153 -0.684 -0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.863 -0.760 0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.005 -2.045 -0.535 1.00 0.00 H new ATOM 287 N ILE A 22 -5.861 -4.282 4.633 1.00 0.00 N ATOM 288 CA ILE A 22 -5.171 -5.309 5.404 1.00 0.00 C ATOM 289 C ILE A 22 -6.026 -5.787 6.572 1.00 0.00 C ATOM 290 O ILE A 22 -6.260 -6.985 6.735 1.00 0.00 O ATOM 291 CB ILE A 22 -3.823 -4.797 5.945 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.794 -4.714 4.815 1.00 0.00 C ATOM 293 CG2 ILE A 22 -3.321 -5.702 7.060 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.430 -6.060 4.229 1.00 0.00 C ATOM 0 H ILE A 22 -5.421 -3.362 4.666 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.988 -6.142 4.726 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.968 -3.797 6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.187 -4.076 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.891 -4.235 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.368 -5.327 7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.047 -5.715 7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.188 -6.713 6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.697 -5.924 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.007 -6.694 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.323 -6.533 3.822 1.00 0.00 H new ATOM 306 N ASP A 23 -6.491 -4.843 7.383 1.00 0.00 N ATOM 307 CA ASP A 23 -7.324 -5.166 8.535 1.00 0.00 C ATOM 308 C ASP A 23 -8.410 -6.169 8.157 1.00 0.00 C ATOM 309 O ASP A 23 -8.950 -6.869 9.014 1.00 0.00 O ATOM 310 CB ASP A 23 -7.960 -3.897 9.105 1.00 0.00 C ATOM 311 CG ASP A 23 -8.672 -4.146 10.420 1.00 0.00 C ATOM 312 OD1 ASP A 23 -9.878 -4.467 10.390 1.00 0.00 O ATOM 313 OD2 ASP A 23 -8.023 -4.018 11.479 1.00 0.00 O ATOM 0 H ASP A 23 -6.305 -3.847 7.264 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.688 -5.617 9.296 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.188 -3.141 9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.669 -3.493 8.382 1.00 0.00 H new ATOM 318 N THR A 24 -8.727 -6.232 6.868 1.00 0.00 N ATOM 319 CA THR A 24 -9.749 -7.146 6.376 1.00 0.00 C ATOM 320 C THR A 24 -9.132 -8.457 5.900 1.00 0.00 C ATOM 321 O THR A 24 -9.737 -9.522 6.029 1.00 0.00 O ATOM 322 CB THR A 24 -10.553 -6.521 5.220 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.207 -5.328 5.667 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.586 -7.502 4.686 1.00 0.00 C ATOM 0 H THR A 24 -8.290 -5.660 6.145 1.00 0.00 H new ATOM 0 HA THR A 24 -10.422 -7.346 7.210 1.00 0.00 H new ATOM 0 HB THR A 24 -9.859 -6.275 4.416 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.662 -4.548 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.141 -7.038 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.083 -8.397 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 -12.275 -7.775 5.485 1.00 0.00 H new ATOM 332 N VAL A 25 -7.925 -8.372 5.351 1.00 0.00 N ATOM 333 CA VAL A 25 -7.225 -9.553 4.858 1.00 0.00 C ATOM 334 C VAL A 25 -6.661 -10.378 6.009 1.00 0.00 C ATOM 335 O VAL A 25 -6.887 -11.586 6.088 1.00 0.00 O ATOM 336 CB VAL A 25 -6.077 -9.167 3.906 1.00 0.00 C ATOM 337 CG1 VAL A 25 -5.343 -10.409 3.425 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.608 -8.362 2.729 1.00 0.00 C ATOM 0 H VAL A 25 -7.411 -7.498 5.236 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.956 -10.150 4.312 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.369 -8.544 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.535 -10.117 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.929 -10.941 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.038 -11.060 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.783 -8.098 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.337 -8.958 2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.084 -7.453 3.095 1.00 0.00 H new ATOM 348 N ILE A 26 -5.928 -9.719 6.899 1.00 0.00 N ATOM 349 CA ILE A 26 -5.333 -10.392 8.047 1.00 0.00 C ATOM 350 C ILE A 26 -6.407 -10.966 8.964 1.00 0.00 C ATOM 351 O ILE A 26 -6.229 -12.031 9.554 1.00 0.00 O ATOM 352 CB ILE A 26 -4.439 -9.436 8.858 1.00 0.00 C ATOM 353 CG1 ILE A 26 -3.219 -9.020 8.033 1.00 0.00 C ATOM 354 CG2 ILE A 26 -4.005 -10.093 10.160 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.381 -7.946 8.692 1.00 0.00 C ATOM 0 H ILE A 26 -5.732 -8.719 6.848 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.721 -11.204 7.655 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.014 -8.542 9.099 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.596 -9.896 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.554 -8.662 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.374 -9.405 10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.885 -10.344 10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.445 -11.002 9.940 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.534 -7.701 8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.989 -7.054 8.847 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.016 -8.308 9.653 1.00 0.00 H new ATOM 367 N ASN A 27 -7.524 -10.254 9.078 1.00 0.00 N ATOM 368 CA ASN A 27 -8.628 -10.695 9.922 1.00 0.00 C ATOM 369 C ASN A 27 -9.332 -11.902 9.312 1.00 0.00 C ATOM 370 O ASN A 27 -9.671 -12.857 10.012 1.00 0.00 O ATOM 371 CB ASN A 27 -9.629 -9.555 10.124 1.00 0.00 C ATOM 372 CG ASN A 27 -9.105 -8.486 11.064 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.822 -8.166 10.941 1.00 0.00 O flip ATOM 374 ND2 ASN A 27 -9.846 -7.953 11.891 1.00 0.00 N flip ATOM 0 H ASN A 27 -7.688 -9.370 8.597 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.219 -10.987 10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.862 -9.104 9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.561 -9.959 10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.826 -8.230 11.951 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.480 -7.235 12.516 1.00 0.00 H new ATOM 381 N TYR A 28 -9.550 -11.853 8.002 1.00 0.00 N ATOM 382 CA TYR A 28 -10.215 -12.942 7.297 1.00 0.00 C ATOM 383 C TYR A 28 -9.815 -14.294 7.879 1.00 0.00 C ATOM 384 O TYR A 28 -8.694 -14.470 8.359 1.00 0.00 O ATOM 385 CB TYR A 28 -9.875 -12.895 5.806 1.00 0.00 C ATOM 386 CG TYR A 28 -10.487 -14.025 5.009 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.934 -15.299 5.035 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.620 -13.818 4.232 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.489 -16.334 4.308 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.183 -14.848 3.503 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.614 -16.104 3.544 1.00 0.00 C ATOM 392 OH TYR A 28 -12.172 -17.132 2.819 1.00 0.00 O ATOM 0 H TYR A 28 -9.276 -11.071 7.407 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.291 -12.818 7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.216 -11.945 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.792 -12.923 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.055 -15.483 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.068 -12.836 4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.045 -17.318 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.064 -14.671 2.904 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.959 -16.803 2.337 1.00 0.00 H new ATOM 402 N LYS A 29 -10.738 -15.248 7.833 1.00 0.00 N ATOM 403 CA LYS A 29 -10.484 -16.586 8.353 1.00 0.00 C ATOM 404 C LYS A 29 -10.947 -17.651 7.365 1.00 0.00 C ATOM 405 O LYS A 29 -11.881 -17.432 6.594 1.00 0.00 O ATOM 406 CB LYS A 29 -11.195 -16.777 9.695 1.00 0.00 C ATOM 407 CG LYS A 29 -12.702 -16.609 9.614 1.00 0.00 C ATOM 408 CD LYS A 29 -13.331 -16.539 10.996 1.00 0.00 C ATOM 409 CE LYS A 29 -14.839 -16.729 10.933 1.00 0.00 C ATOM 410 NZ LYS A 29 -15.549 -15.444 10.679 1.00 0.00 N ATOM 0 H LYS A 29 -11.670 -15.119 7.440 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.409 -16.694 8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.969 -17.772 10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.796 -16.061 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.938 -15.701 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.133 -17.443 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.893 -17.306 11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.103 -15.575 11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.083 -17.441 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.191 -17.159 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.574 -15.615 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.337 -14.773 11.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.232 -15.046 9.772 1.00 0.00 H new ATOM 506 N LEU A 36 -5.373 -17.594 8.902 1.00 0.00 N ATOM 507 CA LEU A 36 -4.250 -17.961 8.046 1.00 0.00 C ATOM 508 C LEU A 36 -3.111 -16.956 8.183 1.00 0.00 C ATOM 509 O LEU A 36 -1.943 -17.335 8.268 1.00 0.00 O ATOM 510 CB LEU A 36 -4.701 -18.043 6.587 1.00 0.00 C ATOM 511 CG LEU A 36 -6.152 -18.467 6.355 1.00 0.00 C ATOM 512 CD1 LEU A 36 -7.067 -17.252 6.347 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.279 -19.242 5.052 1.00 0.00 C ATOM 0 HA LEU A 36 -3.887 -18.939 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.551 -17.067 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.051 -18.745 6.066 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.456 -19.120 7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.096 -17.572 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.997 -16.738 7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.765 -16.574 5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.318 -19.536 4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.957 -18.613 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.653 -20.133 5.096 1.00 0.00 H new ATOM 525 N SER A 37 -3.459 -15.674 8.204 1.00 0.00 N ATOM 526 CA SER A 37 -2.465 -14.614 8.329 1.00 0.00 C ATOM 527 C SER A 37 -1.419 -14.971 9.380 1.00 0.00 C ATOM 528 O SER A 37 -0.290 -14.483 9.339 1.00 0.00 O ATOM 529 CB SER A 37 -3.142 -13.292 8.696 1.00 0.00 C ATOM 530 OG SER A 37 -4.107 -13.479 9.717 1.00 0.00 O ATOM 0 H SER A 37 -4.422 -15.344 8.136 1.00 0.00 H new ATOM 0 HA SER A 37 -1.965 -14.504 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.391 -12.575 9.028 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.620 -12.867 7.813 1.00 0.00 H new ATOM 0 HG SER A 37 -4.744 -12.735 9.705 1.00 0.00 H new ATOM 536 N GLU A 38 -1.803 -15.828 10.322 1.00 0.00 N ATOM 537 CA GLU A 38 -0.899 -16.250 11.385 1.00 0.00 C ATOM 538 C GLU A 38 0.461 -16.645 10.817 1.00 0.00 C ATOM 539 O GLU A 38 1.490 -16.083 11.192 1.00 0.00 O ATOM 540 CB GLU A 38 -1.500 -17.424 12.160 1.00 0.00 C ATOM 541 CG GLU A 38 -2.449 -16.999 13.269 1.00 0.00 C ATOM 542 CD GLU A 38 -3.405 -18.104 13.673 1.00 0.00 C ATOM 543 OE1 GLU A 38 -3.436 -19.144 12.982 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.122 -17.930 14.681 1.00 0.00 O ATOM 0 H GLU A 38 -2.734 -16.243 10.370 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.760 -15.409 12.064 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.034 -18.072 11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.692 -18.015 12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.870 -16.689 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.021 -16.131 12.940 1.00 0.00 H new ATOM 551 N VAL A 39 0.458 -17.617 9.909 1.00 0.00 N ATOM 552 CA VAL A 39 1.690 -18.087 9.288 1.00 0.00 C ATOM 553 C VAL A 39 2.253 -17.047 8.327 1.00 0.00 C ATOM 554 O VAL A 39 3.327 -17.232 7.754 1.00 0.00 O ATOM 555 CB VAL A 39 1.466 -19.407 8.526 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.536 -20.323 9.306 1.00 0.00 C ATOM 557 CG2 VAL A 39 0.913 -19.131 7.136 1.00 0.00 C ATOM 0 H VAL A 39 -0.385 -18.094 9.588 1.00 0.00 H new ATOM 0 HA VAL A 39 2.405 -18.257 10.093 1.00 0.00 H new ATOM 0 HB VAL A 39 2.426 -19.911 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.390 -21.250 8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.976 -20.546 10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.426 -19.830 9.448 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.761 -20.074 6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.038 -18.605 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.620 -18.516 6.579 1.00 0.00 H new ATOM 567 N PHE A 40 1.522 -15.951 8.155 1.00 0.00 N ATOM 568 CA PHE A 40 1.948 -14.879 7.262 1.00 0.00 C ATOM 569 C PHE A 40 2.264 -13.610 8.048 1.00 0.00 C ATOM 570 O PHE A 40 2.489 -12.548 7.467 1.00 0.00 O ATOM 571 CB PHE A 40 0.863 -14.592 6.222 1.00 0.00 C ATOM 572 CG PHE A 40 0.557 -15.764 5.335 1.00 0.00 C ATOM 573 CD1 PHE A 40 1.355 -16.047 4.238 1.00 0.00 C ATOM 574 CD2 PHE A 40 -0.528 -16.584 5.598 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.077 -17.125 3.420 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.811 -17.664 4.783 1.00 0.00 C ATOM 577 CZ PHE A 40 -0.009 -17.934 3.692 1.00 0.00 C ATOM 0 H PHE A 40 0.631 -15.781 8.622 1.00 0.00 H new ATOM 0 HA PHE A 40 2.854 -15.204 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.049 -14.287 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.177 -13.751 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.205 -15.417 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.160 -16.377 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.708 -17.335 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.659 -18.296 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.230 -18.776 3.053 1.00 0.00 H new ATOM 587 N ILE A 41 2.280 -13.729 9.371 1.00 0.00 N ATOM 588 CA ILE A 41 2.569 -12.593 10.237 1.00 0.00 C ATOM 589 C ILE A 41 4.055 -12.252 10.219 1.00 0.00 C ATOM 590 O ILE A 41 4.440 -11.127 9.903 1.00 0.00 O ATOM 591 CB ILE A 41 2.133 -12.865 11.689 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.607 -12.903 11.787 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.704 -11.807 12.620 1.00 0.00 C ATOM 594 CD1 ILE A 41 -0.074 -11.770 11.053 1.00 0.00 C ATOM 0 H ILE A 41 2.096 -14.601 9.867 1.00 0.00 H new ATOM 0 HA ILE A 41 2.000 -11.748 9.849 1.00 0.00 H new ATOM 0 HB ILE A 41 2.522 -13.837 11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.249 -13.852 11.387 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.318 -12.871 12.837 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.387 -12.013 13.642 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.793 -11.825 12.567 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.342 -10.824 12.319 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.154 -11.861 11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.255 -10.818 11.468 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.185 -11.814 9.995 1.00 0.00 H new ATOM 606 N GLN A 42 4.885 -13.233 10.559 1.00 0.00 N ATOM 607 CA GLN A 42 6.330 -13.038 10.581 1.00 0.00 C ATOM 608 C GLN A 42 7.033 -14.074 9.710 1.00 0.00 C ATOM 609 O GLN A 42 6.427 -15.060 9.289 1.00 0.00 O ATOM 610 CB GLN A 42 6.855 -13.119 12.015 1.00 0.00 C ATOM 611 CG GLN A 42 6.362 -14.339 12.776 1.00 0.00 C ATOM 612 CD GLN A 42 7.144 -15.593 12.438 1.00 0.00 C ATOM 613 OE1 GLN A 42 6.600 -16.548 11.883 1.00 0.00 O ATOM 614 NE2 GLN A 42 8.430 -15.597 12.772 1.00 0.00 N ATOM 0 H GLN A 42 4.582 -14.170 10.823 1.00 0.00 H new ATOM 0 HA GLN A 42 6.543 -12.048 10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.945 -13.130 11.994 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.556 -12.220 12.554 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.434 -14.148 13.847 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.308 -14.501 12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.840 -14.784 13.231 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.007 -16.413 12.570 1.00 0.00 H new ATOM 623 N LEU A 43 8.314 -13.844 9.443 1.00 0.00 N ATOM 624 CA LEU A 43 9.100 -14.758 8.622 1.00 0.00 C ATOM 625 C LEU A 43 10.211 -15.407 9.441 1.00 0.00 C ATOM 626 O LEU A 43 10.611 -14.910 10.494 1.00 0.00 O ATOM 627 CB LEU A 43 9.700 -14.013 7.427 1.00 0.00 C ATOM 628 CG LEU A 43 8.808 -13.900 6.191 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.382 -12.890 5.209 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.643 -15.258 5.525 1.00 0.00 C ATOM 0 H LEU A 43 8.830 -13.033 9.783 1.00 0.00 H new ATOM 0 HA LEU A 43 8.437 -15.543 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.969 -13.007 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.624 -14.514 7.139 1.00 0.00 H new ATOM 0 HG LEU A 43 7.825 -13.551 6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.734 -12.823 4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.447 -11.913 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.377 -13.209 4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.005 -15.158 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.620 -15.636 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.186 -15.955 6.228 1.00 0.00 H new ATOM 642 N PRO A 44 10.725 -16.543 8.946 1.00 0.00 N ATOM 643 CA PRO A 44 11.799 -17.283 9.614 1.00 0.00 C ATOM 644 C PRO A 44 13.132 -16.544 9.563 1.00 0.00 C ATOM 645 O PRO A 44 13.647 -16.248 8.486 1.00 0.00 O ATOM 646 CB PRO A 44 11.880 -18.588 8.817 1.00 0.00 C ATOM 647 CG PRO A 44 11.350 -18.241 7.469 1.00 0.00 C ATOM 648 CD PRO A 44 10.297 -17.192 7.695 1.00 0.00 C ATOM 0 HA PRO A 44 11.595 -17.427 10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.905 -18.953 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.288 -19.375 9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.143 -17.865 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.928 -19.118 6.978 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.253 -16.482 6.869 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.305 -17.633 7.790 1.00 0.00 H new ATOM 656 N SER A 45 13.685 -16.249 10.736 1.00 0.00 N ATOM 657 CA SER A 45 14.956 -15.540 10.824 1.00 0.00 C ATOM 658 C SER A 45 15.928 -16.034 9.757 1.00 0.00 C ATOM 659 O SER A 45 15.821 -17.163 9.278 1.00 0.00 O ATOM 660 CB SER A 45 15.570 -15.723 12.213 1.00 0.00 C ATOM 661 OG SER A 45 14.636 -15.403 13.230 1.00 0.00 O ATOM 0 H SER A 45 13.273 -16.490 11.637 1.00 0.00 H new ATOM 0 HA SER A 45 14.766 -14.480 10.655 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.904 -16.753 12.333 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.451 -15.088 12.311 1.00 0.00 H new ATOM 0 HG SER A 45 15.052 -15.530 14.108 1.00 0.00 H new ATOM 667 N ARG A 46 16.877 -15.179 9.389 1.00 0.00 N ATOM 668 CA ARG A 46 17.868 -15.527 8.378 1.00 0.00 C ATOM 669 C ARG A 46 18.818 -16.603 8.895 1.00 0.00 C ATOM 670 O ARG A 46 18.948 -17.671 8.297 1.00 0.00 O ATOM 671 CB ARG A 46 18.663 -14.287 7.964 1.00 0.00 C ATOM 672 CG ARG A 46 17.814 -13.212 7.305 1.00 0.00 C ATOM 673 CD ARG A 46 18.403 -11.826 7.522 1.00 0.00 C ATOM 674 NE ARG A 46 18.079 -10.917 6.426 1.00 0.00 N ATOM 675 CZ ARG A 46 18.098 -9.593 6.539 1.00 0.00 C ATOM 676 NH1 ARG A 46 18.423 -9.028 7.694 1.00 0.00 N ATOM 677 NH2 ARG A 46 17.791 -8.833 5.497 1.00 0.00 N ATOM 0 H ARG A 46 16.980 -14.241 9.776 1.00 0.00 H new ATOM 0 HA ARG A 46 17.340 -15.919 7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 46 19.148 -13.866 8.845 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.454 -14.586 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 46 17.736 -13.412 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 46 16.803 -13.246 7.710 1.00 0.00 H new ATOM 0 HD2 ARG A 46 18.026 -11.414 8.458 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.486 -11.903 7.621 1.00 0.00 H new ATOM 0 HE ARG A 46 17.824 -11.320 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.659 -9.610 8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.437 -8.012 7.778 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.540 -9.264 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.806 -7.817 5.585 1.00 0.00 H new ATOM 691 N LYS A 47 19.481 -16.315 10.010 1.00 0.00 N ATOM 692 CA LYS A 47 20.418 -17.257 10.610 1.00 0.00 C ATOM 693 C LYS A 47 19.840 -18.668 10.620 1.00 0.00 C ATOM 694 O LYS A 47 20.528 -19.633 10.291 1.00 0.00 O ATOM 695 CB LYS A 47 20.765 -16.825 12.036 1.00 0.00 C ATOM 696 CG LYS A 47 22.064 -17.419 12.553 1.00 0.00 C ATOM 697 CD LYS A 47 23.273 -16.721 11.954 1.00 0.00 C ATOM 698 CE LYS A 47 24.483 -16.817 12.871 1.00 0.00 C ATOM 699 NZ LYS A 47 25.586 -15.919 12.429 1.00 0.00 N ATOM 0 H LYS A 47 19.386 -15.435 10.517 1.00 0.00 H new ATOM 0 HA LYS A 47 21.326 -17.261 10.008 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.833 -15.738 12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.952 -17.115 12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 47 22.096 -17.336 13.639 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.100 -18.482 12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 47 23.511 -17.167 10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 47 23.036 -15.673 11.771 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.189 -16.558 13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.840 -17.847 12.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 26.392 -16.013 13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.884 -16.182 11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.253 -14.934 12.431 1.00 0.00 H new ATOM 713 N GLU A 48 18.570 -18.779 10.999 1.00 0.00 N ATOM 714 CA GLU A 48 17.900 -20.073 11.052 1.00 0.00 C ATOM 715 C GLU A 48 17.707 -20.643 9.649 1.00 0.00 C ATOM 716 O GLU A 48 18.083 -21.783 9.372 1.00 0.00 O ATOM 717 CB GLU A 48 16.546 -19.944 11.753 1.00 0.00 C ATOM 718 CG GLU A 48 16.649 -19.469 13.192 1.00 0.00 C ATOM 719 CD GLU A 48 16.977 -20.593 14.155 1.00 0.00 C ATOM 720 OE1 GLU A 48 16.074 -21.404 14.450 1.00 0.00 O ATOM 721 OE2 GLU A 48 18.136 -20.662 14.615 1.00 0.00 O ATOM 0 H GLU A 48 17.986 -17.989 11.273 1.00 0.00 H new ATOM 0 HA GLU A 48 18.531 -20.757 11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.921 -19.248 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.043 -20.911 11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.418 -18.699 13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.707 -19.007 13.486 1.00 0.00 H new ATOM 728 N LEU A 49 17.117 -19.842 8.768 1.00 0.00 N ATOM 729 CA LEU A 49 16.872 -20.265 7.394 1.00 0.00 C ATOM 730 C LEU A 49 17.328 -19.196 6.406 1.00 0.00 C ATOM 731 O LEU A 49 16.528 -18.427 5.873 1.00 0.00 O ATOM 732 CB LEU A 49 15.386 -20.565 7.188 1.00 0.00 C ATOM 733 CG LEU A 49 15.033 -21.393 5.953 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.916 -22.629 5.868 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.563 -21.786 5.976 1.00 0.00 C ATOM 0 H LEU A 49 16.800 -18.896 8.981 1.00 0.00 H new ATOM 0 HA LEU A 49 17.448 -21.172 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.016 -21.089 8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.849 -19.618 7.131 1.00 0.00 H new ATOM 0 HG LEU A 49 15.211 -20.783 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.650 -23.206 4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.961 -22.326 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.771 -23.242 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.330 -22.375 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.358 -22.377 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.946 -20.887 5.987 1.00 0.00 H new ATOM 747 N PRO A 50 18.644 -19.147 6.153 1.00 0.00 N ATOM 748 CA PRO A 50 19.236 -18.178 5.225 1.00 0.00 C ATOM 749 C PRO A 50 18.868 -18.466 3.773 1.00 0.00 C ATOM 750 O PRO A 50 18.978 -17.595 2.912 1.00 0.00 O ATOM 751 CB PRO A 50 20.741 -18.354 5.440 1.00 0.00 C ATOM 752 CG PRO A 50 20.891 -19.749 5.942 1.00 0.00 C ATOM 753 CD PRO A 50 19.656 -20.033 6.752 1.00 0.00 C ATOM 0 HA PRO A 50 18.881 -17.165 5.413 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.294 -18.205 4.512 1.00 0.00 H new ATOM 0 HB3 PRO A 50 21.125 -17.631 6.159 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.986 -20.453 5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.789 -19.850 6.551 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.363 -21.081 6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.809 -19.812 7.808 1.00 0.00 H new ATOM 761 N GLU A 51 18.432 -19.694 3.511 1.00 0.00 N ATOM 762 CA GLU A 51 18.049 -20.096 2.162 1.00 0.00 C ATOM 763 C GLU A 51 16.757 -19.405 1.735 1.00 0.00 C ATOM 764 O GLU A 51 16.626 -18.959 0.595 1.00 0.00 O ATOM 765 CB GLU A 51 17.876 -21.614 2.088 1.00 0.00 C ATOM 766 CG GLU A 51 16.625 -22.120 2.787 1.00 0.00 C ATOM 767 CD GLU A 51 16.729 -23.579 3.186 1.00 0.00 C ATOM 768 OE1 GLU A 51 17.801 -23.982 3.684 1.00 0.00 O ATOM 769 OE2 GLU A 51 15.740 -24.317 3.001 1.00 0.00 O ATOM 0 H GLU A 51 18.335 -20.427 4.214 1.00 0.00 H new ATOM 0 HA GLU A 51 18.845 -19.795 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.845 -21.917 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.749 -22.093 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.441 -21.516 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.767 -21.988 2.128 1.00 0.00 H new ATOM 776 N TYR A 52 15.805 -19.320 2.658 1.00 0.00 N ATOM 777 CA TYR A 52 14.522 -18.687 2.378 1.00 0.00 C ATOM 778 C TYR A 52 14.720 -17.284 1.812 1.00 0.00 C ATOM 779 O TYR A 52 13.843 -16.746 1.135 1.00 0.00 O ATOM 780 CB TYR A 52 13.673 -18.622 3.648 1.00 0.00 C ATOM 781 CG TYR A 52 12.302 -18.023 3.430 1.00 0.00 C ATOM 782 CD1 TYR A 52 12.151 -16.672 3.143 1.00 0.00 C ATOM 783 CD2 TYR A 52 11.158 -18.807 3.513 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.900 -16.119 2.944 1.00 0.00 C ATOM 785 CE2 TYR A 52 9.904 -18.263 3.314 1.00 0.00 C ATOM 786 CZ TYR A 52 9.780 -16.919 3.029 1.00 0.00 C ATOM 787 OH TYR A 52 8.532 -16.374 2.832 1.00 0.00 O ATOM 0 H TYR A 52 15.898 -19.682 3.607 1.00 0.00 H new ATOM 0 HA TYR A 52 14.003 -19.290 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.561 -19.628 4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.202 -18.035 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 52 13.026 -16.043 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.251 -19.859 3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.800 -15.067 2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 52 9.025 -18.887 3.381 1.00 0.00 H new ATOM 0 HH TYR A 52 8.619 -15.416 2.644 1.00 0.00 H new ATOM 797 N TYR A 53 15.877 -16.696 2.096 1.00 0.00 N ATOM 798 CA TYR A 53 16.191 -15.355 1.618 1.00 0.00 C ATOM 799 C TYR A 53 16.980 -15.412 0.314 1.00 0.00 C ATOM 800 O TYR A 53 16.898 -14.505 -0.513 1.00 0.00 O ATOM 801 CB TYR A 53 16.985 -14.587 2.676 1.00 0.00 C ATOM 802 CG TYR A 53 16.169 -14.211 3.892 1.00 0.00 C ATOM 803 CD1 TYR A 53 15.795 -15.170 4.825 1.00 0.00 C ATOM 804 CD2 TYR A 53 15.773 -12.897 4.108 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.049 -14.831 5.937 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.028 -12.549 5.218 1.00 0.00 C ATOM 807 CZ TYR A 53 14.668 -13.519 6.129 1.00 0.00 C ATOM 808 OH TYR A 53 13.926 -13.177 7.237 1.00 0.00 O ATOM 0 H TYR A 53 16.613 -17.127 2.655 1.00 0.00 H new ATOM 0 HA TYR A 53 15.252 -14.834 1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 53 17.834 -15.193 2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.390 -13.680 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.093 -16.198 4.678 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.052 -12.135 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 53 14.766 -15.589 6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.729 -11.523 5.371 1.00 0.00 H new ATOM 0 HH TYR A 53 13.732 -13.982 7.762 1.00 0.00 H new ATOM 818 N GLU A 54 17.745 -16.485 0.139 1.00 0.00 N ATOM 819 CA GLU A 54 18.550 -16.661 -1.064 1.00 0.00 C ATOM 820 C GLU A 54 17.666 -16.719 -2.306 1.00 0.00 C ATOM 821 O GLU A 54 17.778 -15.879 -3.201 1.00 0.00 O ATOM 822 CB GLU A 54 19.388 -17.937 -0.961 1.00 0.00 C ATOM 823 CG GLU A 54 20.547 -17.827 0.015 1.00 0.00 C ATOM 824 CD GLU A 54 21.581 -18.920 -0.181 1.00 0.00 C ATOM 825 OE1 GLU A 54 21.327 -20.062 0.255 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.643 -18.631 -0.771 1.00 0.00 O ATOM 0 H GLU A 54 17.824 -17.245 0.815 1.00 0.00 H new ATOM 0 HA GLU A 54 19.217 -15.803 -1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.743 -18.761 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.778 -18.186 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.025 -16.855 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.164 -17.873 1.035 1.00 0.00 H new ATOM 833 N LEU A 55 16.788 -17.715 -2.355 1.00 0.00 N ATOM 834 CA LEU A 55 15.885 -17.883 -3.488 1.00 0.00 C ATOM 835 C LEU A 55 14.883 -16.735 -3.561 1.00 0.00 C ATOM 836 O LEU A 55 14.611 -16.204 -4.638 1.00 0.00 O ATOM 837 CB LEU A 55 15.142 -19.216 -3.379 1.00 0.00 C ATOM 838 CG LEU A 55 14.949 -19.763 -1.965 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.635 -20.522 -1.861 1.00 0.00 C ATOM 840 CD2 LEU A 55 16.116 -20.658 -1.575 1.00 0.00 C ATOM 0 H LEU A 55 16.682 -18.418 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 55 16.482 -17.879 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 14.161 -19.101 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.683 -19.960 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 55 14.915 -18.922 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.515 -20.904 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.808 -19.852 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.639 -21.355 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.961 -21.038 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 55 16.182 -21.494 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 55 17.042 -20.084 -1.609 1.00 0.00 H new ATOM 852 N ILE A 56 14.340 -16.356 -2.409 1.00 0.00 N ATOM 853 CA ILE A 56 13.372 -15.268 -2.343 1.00 0.00 C ATOM 854 C ILE A 56 14.038 -13.923 -2.610 1.00 0.00 C ATOM 855 O ILE A 56 15.068 -13.600 -2.018 1.00 0.00 O ATOM 856 CB ILE A 56 12.673 -15.220 -0.972 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.957 -16.543 -0.693 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.691 -14.059 -0.919 1.00 0.00 C ATOM 859 CD1 ILE A 56 10.942 -16.916 -1.750 1.00 0.00 C ATOM 0 H ILE A 56 14.554 -16.786 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 56 12.627 -15.461 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 56 13.428 -15.068 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.698 -17.339 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.456 -16.479 0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.205 -14.038 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.226 -13.123 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.938 -14.183 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.474 -17.865 -1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.179 -16.140 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.440 -17.013 -2.715 1.00 0.00 H new ATOM 871 N ARG A 57 13.441 -13.140 -3.503 1.00 0.00 N ATOM 872 CA ARG A 57 13.975 -11.828 -3.848 1.00 0.00 C ATOM 873 C ARG A 57 13.770 -10.840 -2.704 1.00 0.00 C ATOM 874 O ARG A 57 14.731 -10.335 -2.124 1.00 0.00 O ATOM 875 CB ARG A 57 13.308 -11.300 -5.119 1.00 0.00 C ATOM 876 CG ARG A 57 13.453 -12.228 -6.314 1.00 0.00 C ATOM 877 CD ARG A 57 14.897 -12.309 -6.785 1.00 0.00 C ATOM 878 NE ARG A 57 15.225 -11.244 -7.729 1.00 0.00 N ATOM 879 CZ ARG A 57 15.674 -10.049 -7.363 1.00 0.00 C ATOM 880 NH1 ARG A 57 15.848 -9.768 -6.079 1.00 0.00 N ATOM 881 NH2 ARG A 57 15.950 -9.133 -8.281 1.00 0.00 N ATOM 0 H ARG A 57 12.587 -13.392 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 57 15.045 -11.934 -4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.248 -11.138 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.738 -10.330 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.100 -13.224 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.822 -11.874 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.563 -12.248 -5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.071 -13.277 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 57 15.102 -11.428 -8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 57 15.637 -10.470 -5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 57 16.193 -8.850 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.818 -9.346 -9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.295 -8.216 -7.998 1.00 0.00 H new ATOM 895 N LYS A 58 12.509 -10.567 -2.384 1.00 0.00 N ATOM 896 CA LYS A 58 12.175 -9.639 -1.310 1.00 0.00 C ATOM 897 C LYS A 58 11.157 -10.256 -0.356 1.00 0.00 C ATOM 898 O LYS A 58 9.946 -10.106 -0.520 1.00 0.00 O ATOM 899 CB LYS A 58 11.624 -8.334 -1.888 1.00 0.00 C ATOM 900 CG LYS A 58 12.413 -7.814 -3.077 1.00 0.00 C ATOM 901 CD LYS A 58 11.847 -6.501 -3.590 1.00 0.00 C ATOM 902 CE LYS A 58 12.351 -6.186 -4.990 1.00 0.00 C ATOM 903 NZ LYS A 58 13.651 -5.459 -4.961 1.00 0.00 N ATOM 0 H LYS A 58 11.701 -10.976 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 58 13.086 -9.425 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.588 -8.489 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.618 -7.574 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.455 -7.675 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.399 -8.555 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.758 -6.551 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.125 -5.694 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.466 -7.113 -5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.610 -5.584 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.961 -5.263 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.536 -4.562 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.365 -6.044 -4.482 1.00 0.00 H new ATOM 917 N PRO A 59 11.657 -10.965 0.667 1.00 0.00 N ATOM 918 CA PRO A 59 10.807 -11.616 1.669 1.00 0.00 C ATOM 919 C PRO A 59 10.109 -10.611 2.579 1.00 0.00 C ATOM 920 O PRO A 59 10.752 -9.934 3.381 1.00 0.00 O ATOM 921 CB PRO A 59 11.794 -12.468 2.471 1.00 0.00 C ATOM 922 CG PRO A 59 13.108 -11.785 2.304 1.00 0.00 C ATOM 923 CD PRO A 59 13.090 -11.185 0.925 1.00 0.00 C ATOM 0 HA PRO A 59 10.002 -12.190 1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.507 -12.523 3.521 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.829 -13.491 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.247 -11.015 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.931 -12.491 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.653 -10.253 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.532 -11.856 0.189 1.00 0.00 H new ATOM 931 N VAL A 60 8.790 -10.519 2.449 1.00 0.00 N ATOM 932 CA VAL A 60 8.004 -9.597 3.260 1.00 0.00 C ATOM 933 C VAL A 60 6.810 -10.304 3.894 1.00 0.00 C ATOM 934 O VAL A 60 6.262 -11.248 3.326 1.00 0.00 O ATOM 935 CB VAL A 60 7.498 -8.406 2.426 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.560 -8.883 1.327 1.00 0.00 C ATOM 937 CG2 VAL A 60 6.809 -7.385 3.319 1.00 0.00 C ATOM 0 H VAL A 60 8.243 -11.072 1.789 1.00 0.00 H new ATOM 0 HA VAL A 60 8.663 -9.226 4.045 1.00 0.00 H new ATOM 0 HB VAL A 60 8.355 -7.924 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.213 -8.027 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.090 -9.574 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.705 -9.390 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.458 -6.550 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.961 -7.853 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.514 -7.020 4.066 1.00 0.00 H new ATOM 947 N ASP A 61 6.413 -9.839 5.073 1.00 0.00 N ATOM 948 CA ASP A 61 5.283 -10.425 5.784 1.00 0.00 C ATOM 949 C ASP A 61 4.231 -9.366 6.099 1.00 0.00 C ATOM 950 O ASP A 61 4.389 -8.196 5.750 1.00 0.00 O ATOM 951 CB ASP A 61 5.756 -11.091 7.077 1.00 0.00 C ATOM 952 CG ASP A 61 6.857 -10.307 7.764 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.606 -9.145 8.148 1.00 0.00 O ATOM 954 OD2 ASP A 61 7.969 -10.854 7.916 1.00 0.00 O ATOM 0 H ASP A 61 6.857 -9.058 5.557 1.00 0.00 H new ATOM 0 HA ASP A 61 4.832 -11.180 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.911 -11.197 7.757 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.114 -12.096 6.854 1.00 0.00 H new ATOM 959 N PHE A 62 3.156 -9.785 6.760 1.00 0.00 N ATOM 960 CA PHE A 62 2.077 -8.873 7.120 1.00 0.00 C ATOM 961 C PHE A 62 2.558 -7.829 8.123 1.00 0.00 C ATOM 962 O PHE A 62 2.634 -6.640 7.812 1.00 0.00 O ATOM 963 CB PHE A 62 0.896 -9.652 7.704 1.00 0.00 C ATOM 964 CG PHE A 62 -0.019 -10.225 6.661 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.496 -9.434 5.628 1.00 0.00 C ATOM 966 CD2 PHE A 62 -0.401 -11.556 6.712 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.339 -9.960 4.667 1.00 0.00 C ATOM 968 CE2 PHE A 62 -1.243 -12.087 5.753 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.712 -11.288 4.729 1.00 0.00 C ATOM 0 H PHE A 62 3.010 -10.750 7.057 1.00 0.00 H new ATOM 0 HA PHE A 62 1.753 -8.359 6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.277 -10.462 8.326 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.323 -8.993 8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.206 -8.395 5.573 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.037 -12.186 7.510 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.706 -9.333 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.534 -13.126 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.369 -11.701 3.978 1.00 0.00 H new ATOM 979 N LYS A 63 2.882 -8.282 9.329 1.00 0.00 N ATOM 980 CA LYS A 63 3.358 -7.389 10.380 1.00 0.00 C ATOM 981 C LYS A 63 4.297 -6.331 9.811 1.00 0.00 C ATOM 982 O LYS A 63 4.424 -5.237 10.362 1.00 0.00 O ATOM 983 CB LYS A 63 4.073 -8.188 11.472 1.00 0.00 C ATOM 984 CG LYS A 63 5.410 -8.758 11.031 1.00 0.00 C ATOM 985 CD LYS A 63 5.846 -9.910 11.920 1.00 0.00 C ATOM 986 CE LYS A 63 6.368 -9.415 13.259 1.00 0.00 C ATOM 987 NZ LYS A 63 5.261 -9.093 14.202 1.00 0.00 N ATOM 0 H LYS A 63 2.824 -9.263 9.604 1.00 0.00 H new ATOM 0 HA LYS A 63 2.494 -6.886 10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.229 -7.545 12.338 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.428 -9.005 11.794 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.338 -9.101 9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.166 -7.973 11.054 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.005 -10.584 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.622 -10.486 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.012 -10.175 13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.982 -8.528 13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.201 -8.062 14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.363 -9.448 13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.446 -9.543 15.121 1.00 0.00 H new ATOM 1001 N LYS A 64 4.953 -6.662 8.704 1.00 0.00 N ATOM 1002 CA LYS A 64 5.880 -5.740 8.058 1.00 0.00 C ATOM 1003 C LYS A 64 5.126 -4.695 7.242 1.00 0.00 C ATOM 1004 O LYS A 64 5.254 -3.494 7.483 1.00 0.00 O ATOM 1005 CB LYS A 64 6.848 -6.507 7.155 1.00 0.00 C ATOM 1006 CG LYS A 64 8.117 -6.952 7.863 1.00 0.00 C ATOM 1007 CD LYS A 64 9.149 -5.838 7.909 1.00 0.00 C ATOM 1008 CE LYS A 64 10.002 -5.816 6.650 1.00 0.00 C ATOM 1009 NZ LYS A 64 10.974 -6.945 6.618 1.00 0.00 N ATOM 0 H LYS A 64 4.860 -7.563 8.235 1.00 0.00 H new ATOM 0 HA LYS A 64 6.447 -5.229 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.340 -7.383 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.117 -5.877 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.877 -7.269 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.537 -7.817 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.645 -4.878 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.789 -5.970 8.781 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.357 -5.868 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.542 -4.871 6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.696 -6.761 5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.432 -7.035 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.473 -7.828 6.391 1.00 0.00 H new ATOM 1023 N ILE A 65 4.340 -5.159 6.276 1.00 0.00 N ATOM 1024 CA ILE A 65 3.564 -4.264 5.427 1.00 0.00 C ATOM 1025 C ILE A 65 2.929 -3.144 6.244 1.00 0.00 C ATOM 1026 O ILE A 65 2.923 -1.984 5.830 1.00 0.00 O ATOM 1027 CB ILE A 65 2.458 -5.023 4.671 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.074 -5.998 3.666 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.530 -4.045 3.967 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.142 -7.119 3.261 1.00 0.00 C ATOM 0 H ILE A 65 4.224 -6.150 6.062 1.00 0.00 H new ATOM 0 HA ILE A 65 4.258 -3.835 4.704 1.00 0.00 H new ATOM 0 HB ILE A 65 1.873 -5.594 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.375 -5.447 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.979 -6.427 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.754 -4.597 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.069 -3.387 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.101 -3.449 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.646 -7.771 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.861 -7.695 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.247 -6.700 2.801 1.00 0.00 H new ATOM 1042 N LYS A 66 2.396 -3.498 7.408 1.00 0.00 N ATOM 1043 CA LYS A 66 1.760 -2.523 8.287 1.00 0.00 C ATOM 1044 C LYS A 66 2.793 -1.570 8.880 1.00 0.00 C ATOM 1045 O LYS A 66 2.510 -0.393 9.100 1.00 0.00 O ATOM 1046 CB LYS A 66 1.004 -3.235 9.411 1.00 0.00 C ATOM 1047 CG LYS A 66 -0.236 -3.974 8.937 1.00 0.00 C ATOM 1048 CD LYS A 66 -1.016 -4.559 10.102 1.00 0.00 C ATOM 1049 CE LYS A 66 -0.338 -5.803 10.657 1.00 0.00 C ATOM 1050 NZ LYS A 66 -0.729 -6.063 12.070 1.00 0.00 N ATOM 0 H LYS A 66 2.392 -4.453 7.765 1.00 0.00 H new ATOM 0 HA LYS A 66 1.054 -1.943 7.693 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.675 -3.943 9.897 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.714 -2.502 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.875 -3.292 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.054 -4.773 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.110 -3.812 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.026 -4.808 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.601 -6.664 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.744 -5.685 10.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.246 -6.918 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.456 -5.252 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.758 -6.201 12.126 1.00 0.00 H new ATOM 1064 N GLU A 67 3.991 -2.086 9.134 1.00 0.00 N ATOM 1065 CA GLU A 67 5.066 -1.280 9.700 1.00 0.00 C ATOM 1066 C GLU A 67 5.408 -0.109 8.784 1.00 0.00 C ATOM 1067 O GLU A 67 5.919 0.917 9.234 1.00 0.00 O ATOM 1068 CB GLU A 67 6.310 -2.139 9.934 1.00 0.00 C ATOM 1069 CG GLU A 67 7.363 -1.463 10.796 1.00 0.00 C ATOM 1070 CD GLU A 67 7.102 -1.636 12.279 1.00 0.00 C ATOM 1071 OE1 GLU A 67 6.102 -2.294 12.634 1.00 0.00 O ATOM 1072 OE2 GLU A 67 7.899 -1.113 13.086 1.00 0.00 O ATOM 0 H GLU A 67 4.242 -3.059 8.957 1.00 0.00 H new ATOM 0 HA GLU A 67 4.723 -0.883 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.011 -3.075 10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.751 -2.395 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.343 -1.873 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.394 -0.400 10.558 1.00 0.00 H new ATOM 1079 N ARG A 68 5.124 -0.270 7.495 1.00 0.00 N ATOM 1080 CA ARG A 68 5.403 0.772 6.515 1.00 0.00 C ATOM 1081 C ARG A 68 4.290 1.815 6.499 1.00 0.00 C ATOM 1082 O ARG A 68 4.553 3.018 6.529 1.00 0.00 O ATOM 1083 CB ARG A 68 5.563 0.161 5.121 1.00 0.00 C ATOM 1084 CG ARG A 68 6.716 -0.825 5.018 1.00 0.00 C ATOM 1085 CD ARG A 68 8.021 -0.122 4.679 1.00 0.00 C ATOM 1086 NE ARG A 68 8.234 -0.030 3.237 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.496 -1.079 2.464 1.00 0.00 C ATOM 1088 NH1 ARG A 68 8.575 -2.292 2.992 1.00 0.00 N ATOM 1089 NH2 ARG A 68 8.678 -0.914 1.160 1.00 0.00 N ATOM 0 H ARG A 68 4.701 -1.112 7.106 1.00 0.00 H new ATOM 0 HA ARG A 68 6.334 1.263 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.637 -0.345 4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.715 0.962 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.824 -1.360 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.493 -1.569 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.016 0.879 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.852 -0.660 5.135 1.00 0.00 H new ATOM 0 HE ARG A 68 8.179 0.890 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.435 -2.422 3.994 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.776 -3.095 2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.617 0.018 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.879 -1.719 0.567 1.00 0.00 H new ATOM 1103 N ILE A 69 3.047 1.347 6.451 1.00 0.00 N ATOM 1104 CA ILE A 69 1.895 2.240 6.431 1.00 0.00 C ATOM 1105 C ILE A 69 2.026 3.329 7.491 1.00 0.00 C ATOM 1106 O ILE A 69 1.978 4.519 7.181 1.00 0.00 O ATOM 1107 CB ILE A 69 0.582 1.469 6.662 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.365 0.442 5.549 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -0.592 2.434 6.736 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.703 -0.580 5.870 1.00 0.00 C ATOM 0 H ILE A 69 2.812 0.355 6.425 1.00 0.00 H new ATOM 0 HA ILE A 69 1.868 2.699 5.443 1.00 0.00 H new ATOM 0 HB ILE A 69 0.652 0.938 7.611 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.093 0.964 4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.305 -0.075 5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.513 1.875 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.439 3.130 7.560 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.666 2.989 5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.803 -1.276 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.423 -1.129 6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.654 -0.073 6.035 1.00 0.00 H new ATOM 1122 N ARG A 70 2.193 2.913 8.742 1.00 0.00 N ATOM 1123 CA ARG A 70 2.331 3.853 9.847 1.00 0.00 C ATOM 1124 C ARG A 70 3.577 4.716 9.674 1.00 0.00 C ATOM 1125 O ARG A 70 3.606 5.872 10.094 1.00 0.00 O ATOM 1126 CB ARG A 70 2.399 3.101 11.178 1.00 0.00 C ATOM 1127 CG ARG A 70 3.737 2.424 11.427 1.00 0.00 C ATOM 1128 CD ARG A 70 3.848 1.919 12.857 1.00 0.00 C ATOM 1129 NE ARG A 70 3.176 0.634 13.038 1.00 0.00 N ATOM 1130 CZ ARG A 70 2.960 0.078 14.224 1.00 0.00 C ATOM 1131 NH1 ARG A 70 3.361 0.690 15.330 1.00 0.00 N ATOM 1132 NH2 ARG A 70 2.342 -1.093 14.307 1.00 0.00 N ATOM 0 H ARG A 70 2.236 1.931 9.015 1.00 0.00 H new ATOM 0 HA ARG A 70 1.457 4.504 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.198 3.799 11.991 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.611 2.349 11.201 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.859 1.591 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.545 3.127 11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.900 1.819 13.125 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.414 2.654 13.536 1.00 0.00 H new ATOM 0 HE ARG A 70 2.855 0.137 12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.837 1.590 15.271 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.194 0.260 16.240 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.032 -1.567 13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.177 -1.519 15.219 1.00 0.00 H new ATOM 1146 N ASN A 71 4.605 4.145 9.054 1.00 0.00 N ATOM 1147 CA ASN A 71 5.854 4.863 8.826 1.00 0.00 C ATOM 1148 C ASN A 71 5.781 5.689 7.545 1.00 0.00 C ATOM 1149 O ASN A 71 6.807 6.046 6.965 1.00 0.00 O ATOM 1150 CB ASN A 71 7.023 3.879 8.746 1.00 0.00 C ATOM 1151 CG ASN A 71 7.454 3.380 10.112 1.00 0.00 C ATOM 1152 OD1 ASN A 71 7.063 3.935 11.139 1.00 0.00 O ATOM 1153 ND2 ASN A 71 8.264 2.328 10.129 1.00 0.00 N ATOM 0 H ASN A 71 4.598 3.188 8.701 1.00 0.00 H new ATOM 0 HA ASN A 71 6.014 5.541 9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.737 3.030 8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.868 4.362 8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.588 1.948 11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.563 1.900 9.253 1.00 0.00 H new ATOM 1160 N HIS A 72 4.562 5.990 7.110 1.00 0.00 N ATOM 1161 CA HIS A 72 4.355 6.776 5.899 1.00 0.00 C ATOM 1162 C HIS A 72 5.413 6.447 4.850 1.00 0.00 C ATOM 1163 O HIS A 72 5.886 7.328 4.132 1.00 0.00 O ATOM 1164 CB HIS A 72 4.388 8.269 6.223 1.00 0.00 C ATOM 1165 CG HIS A 72 3.468 8.661 7.338 1.00 0.00 C ATOM 1166 ND1 HIS A 72 2.251 9.274 7.129 1.00 0.00 N ATOM 1167 CD2 HIS A 72 3.592 8.522 8.678 1.00 0.00 C ATOM 1168 CE1 HIS A 72 1.667 9.497 8.293 1.00 0.00 C ATOM 1169 NE2 HIS A 72 2.460 9.050 9.249 1.00 0.00 N ATOM 0 H HIS A 72 3.703 5.702 7.578 1.00 0.00 H new ATOM 0 HA HIS A 72 3.376 6.522 5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.407 8.553 6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.122 8.832 5.329 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.862 9.517 6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.426 8.078 9.201 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.705 9.965 8.438 1.00 0.00 H new ATOM 1178 N LYS A 73 5.782 5.173 4.768 1.00 0.00 N ATOM 1179 CA LYS A 73 6.784 4.726 3.808 1.00 0.00 C ATOM 1180 C LYS A 73 6.172 4.560 2.421 1.00 0.00 C ATOM 1181 O LYS A 73 6.734 5.017 1.425 1.00 0.00 O ATOM 1182 CB LYS A 73 7.405 3.404 4.265 1.00 0.00 C ATOM 1183 CG LYS A 73 8.393 3.559 5.408 1.00 0.00 C ATOM 1184 CD LYS A 73 9.815 3.716 4.899 1.00 0.00 C ATOM 1185 CE LYS A 73 10.209 5.181 4.788 1.00 0.00 C ATOM 1186 NZ LYS A 73 10.844 5.680 6.039 1.00 0.00 N ATOM 0 H LYS A 73 5.401 4.431 5.356 1.00 0.00 H new ATOM 0 HA LYS A 73 7.563 5.486 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.609 2.726 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.911 2.938 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.123 4.428 6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.334 2.689 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.502 3.203 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.908 3.238 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.899 5.309 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.325 5.779 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.098 6.682 5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.177 5.581 6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.701 5.126 6.238 1.00 0.00 H new ATOM 1200 N TYR A 74 5.018 3.905 2.363 1.00 0.00 N ATOM 1201 CA TYR A 74 4.330 3.678 1.097 1.00 0.00 C ATOM 1202 C TYR A 74 3.865 4.996 0.486 1.00 0.00 C ATOM 1203 O TYR A 74 3.095 5.739 1.096 1.00 0.00 O ATOM 1204 CB TYR A 74 3.134 2.748 1.303 1.00 0.00 C ATOM 1205 CG TYR A 74 3.522 1.309 1.559 1.00 0.00 C ATOM 1206 CD1 TYR A 74 4.501 0.686 0.794 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.911 0.573 2.567 1.00 0.00 C ATOM 1208 CE1 TYR A 74 4.858 -0.628 1.025 1.00 0.00 C ATOM 1209 CE2 TYR A 74 3.263 -0.741 2.805 1.00 0.00 C ATOM 1210 CZ TYR A 74 4.237 -1.337 2.031 1.00 0.00 C ATOM 1211 OH TYR A 74 4.591 -2.647 2.265 1.00 0.00 O ATOM 0 H TYR A 74 4.539 3.522 3.178 1.00 0.00 H new ATOM 0 HA TYR A 74 5.033 3.208 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.543 3.111 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.495 2.792 0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.991 1.239 0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.148 1.036 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.620 -1.098 0.421 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.778 -1.299 3.593 1.00 0.00 H new ATOM 0 HH TYR A 74 5.494 -2.808 1.920 1.00 0.00 H new ATOM 1221 N ARG A 75 4.338 5.280 -0.723 1.00 0.00 N ATOM 1222 CA ARG A 75 3.972 6.508 -1.418 1.00 0.00 C ATOM 1223 C ARG A 75 2.465 6.573 -1.651 1.00 0.00 C ATOM 1224 O ARG A 75 1.842 7.618 -1.466 1.00 0.00 O ATOM 1225 CB ARG A 75 4.710 6.603 -2.754 1.00 0.00 C ATOM 1226 CG ARG A 75 5.006 8.029 -3.187 1.00 0.00 C ATOM 1227 CD ARG A 75 3.733 8.774 -3.560 1.00 0.00 C ATOM 1228 NE ARG A 75 4.014 10.005 -4.293 1.00 0.00 N ATOM 1229 CZ ARG A 75 4.316 10.038 -5.586 1.00 0.00 C ATOM 1230 NH1 ARG A 75 4.376 8.913 -6.285 1.00 0.00 N ATOM 1231 NH2 ARG A 75 4.559 11.198 -6.182 1.00 0.00 N ATOM 0 H ARG A 75 4.976 4.676 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 75 4.262 7.351 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.648 6.053 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.113 6.115 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.515 8.557 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.685 8.018 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.099 8.127 -4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.173 9.011 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 75 3.976 10.888 -3.784 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.190 8.019 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.608 8.941 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.514 12.065 -5.647 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.791 11.222 -7.175 1.00 0.00 H new ATOM 1245 N SER A 76 1.886 5.448 -2.058 1.00 0.00 N ATOM 1246 CA SER A 76 0.453 5.377 -2.321 1.00 0.00 C ATOM 1247 C SER A 76 -0.061 3.951 -2.148 1.00 0.00 C ATOM 1248 O SER A 76 0.720 3.011 -1.993 1.00 0.00 O ATOM 1249 CB SER A 76 0.148 5.874 -3.736 1.00 0.00 C ATOM 1250 OG SER A 76 0.543 4.921 -4.707 1.00 0.00 O ATOM 0 H SER A 76 2.387 4.573 -2.213 1.00 0.00 H new ATOM 0 HA SER A 76 -0.056 6.018 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.919 6.075 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.667 6.816 -3.914 1.00 0.00 H new ATOM 0 HG SER A 76 0.336 5.261 -5.602 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.380 3.798 -2.176 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.001 2.487 -2.023 1.00 0.00 C ATOM 1258 C LEU A 77 -1.372 1.472 -2.972 1.00 0.00 C ATOM 1259 O LEU A 77 -1.019 0.365 -2.568 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.506 2.580 -2.282 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.240 1.250 -2.460 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -4.294 0.490 -1.144 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -5.643 1.484 -3.001 1.00 0.00 C ATOM 0 H LEU A 77 -2.040 4.565 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.835 2.151 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.965 3.117 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.664 3.182 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.690 0.647 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.820 -0.454 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.280 0.290 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.821 1.088 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.151 0.527 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.203 2.107 -2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.582 1.986 -3.966 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.233 1.858 -4.237 1.00 0.00 N ATOM 1276 CA GLY A 78 -0.645 0.972 -5.223 1.00 0.00 C ATOM 1277 C GLY A 78 0.548 0.210 -4.680 1.00 0.00 C ATOM 1278 O GLY A 78 0.708 -0.980 -4.950 1.00 0.00 O ATOM 0 H GLY A 78 -1.518 2.769 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.399 0.264 -5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.336 1.554 -6.091 1.00 0.00 H new ATOM 1282 N ASP A 79 1.388 0.898 -3.915 1.00 0.00 N ATOM 1283 CA ASP A 79 2.574 0.280 -3.333 1.00 0.00 C ATOM 1284 C ASP A 79 2.197 -0.949 -2.511 1.00 0.00 C ATOM 1285 O ASP A 79 2.735 -2.038 -2.721 1.00 0.00 O ATOM 1286 CB ASP A 79 3.322 1.285 -2.457 1.00 0.00 C ATOM 1287 CG ASP A 79 4.082 2.312 -3.273 1.00 0.00 C ATOM 1288 OD1 ASP A 79 3.468 3.324 -3.673 1.00 0.00 O ATOM 1289 OD2 ASP A 79 5.290 2.104 -3.513 1.00 0.00 O ATOM 0 H ASP A 79 1.270 1.884 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 79 3.226 -0.035 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.611 1.795 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.019 0.751 -1.811 1.00 0.00 H new ATOM 1294 N LEU A 80 1.273 -0.768 -1.575 1.00 0.00 N ATOM 1295 CA LEU A 80 0.825 -1.862 -0.720 1.00 0.00 C ATOM 1296 C LEU A 80 0.602 -3.132 -1.533 1.00 0.00 C ATOM 1297 O LEU A 80 1.106 -4.200 -1.185 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.465 -1.473 0.005 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.058 -2.533 0.935 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.300 -2.570 2.253 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.536 -2.265 1.175 1.00 0.00 C ATOM 0 H LEU A 80 0.819 0.126 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 80 1.604 -2.057 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.273 -0.573 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.215 -1.214 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.959 -3.507 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.736 -3.330 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.746 -2.810 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.367 -1.596 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.941 -3.029 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.658 -1.284 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.069 -2.290 0.225 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.155 -3.009 -2.620 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.443 -4.148 -3.483 1.00 0.00 C ATOM 1315 C GLU A 81 0.835 -4.910 -3.822 1.00 0.00 C ATOM 1316 O GLU A 81 0.993 -6.075 -3.454 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.127 -3.681 -4.769 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.547 -4.820 -5.684 1.00 0.00 C ATOM 1319 CD GLU A 81 -1.793 -4.364 -7.108 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -2.818 -3.692 -7.348 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -0.960 -4.679 -7.984 1.00 0.00 O ATOM 0 H GLU A 81 -0.579 -2.132 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.114 -4.818 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.006 -3.092 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.450 -3.021 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.773 -5.588 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.454 -5.280 -5.292 1.00 0.00 H new ATOM 1328 N LYS A 82 1.744 -4.246 -4.526 1.00 0.00 N ATOM 1329 CA LYS A 82 3.009 -4.858 -4.915 1.00 0.00 C ATOM 1330 C LYS A 82 3.537 -5.766 -3.809 1.00 0.00 C ATOM 1331 O LYS A 82 4.081 -6.837 -4.079 1.00 0.00 O ATOM 1332 CB LYS A 82 4.044 -3.778 -5.240 1.00 0.00 C ATOM 1333 CG LYS A 82 3.864 -3.158 -6.615 1.00 0.00 C ATOM 1334 CD LYS A 82 5.100 -2.385 -7.044 1.00 0.00 C ATOM 1335 CE LYS A 82 5.084 -0.963 -6.505 1.00 0.00 C ATOM 1336 NZ LYS A 82 4.052 -0.127 -7.177 1.00 0.00 N ATOM 0 H LYS A 82 1.628 -3.282 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 82 2.832 -5.463 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.987 -2.993 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.042 -4.211 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.652 -3.941 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.002 -2.491 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.993 -2.899 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.156 -2.362 -8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.893 -0.983 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.066 -0.510 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.263 0.879 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.056 -0.325 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.115 -0.350 -6.785 1.00 0.00 H new ATOM 1350 N ASP A 83 3.371 -5.332 -2.565 1.00 0.00 N ATOM 1351 CA ASP A 83 3.829 -6.108 -1.417 1.00 0.00 C ATOM 1352 C ASP A 83 2.865 -7.250 -1.114 1.00 0.00 C ATOM 1353 O ASP A 83 3.251 -8.419 -1.114 1.00 0.00 O ATOM 1354 CB ASP A 83 3.973 -5.206 -0.190 1.00 0.00 C ATOM 1355 CG ASP A 83 5.258 -4.402 -0.211 1.00 0.00 C ATOM 1356 OD1 ASP A 83 5.415 -3.559 -1.119 1.00 0.00 O ATOM 1357 OD2 ASP A 83 6.106 -4.615 0.681 1.00 0.00 O ATOM 0 H ASP A 83 2.923 -4.448 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 83 4.802 -6.534 -1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.123 -4.526 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.945 -5.817 0.712 1.00 0.00 H new ATOM 1362 N VAL A 84 1.607 -6.904 -0.856 1.00 0.00 N ATOM 1363 CA VAL A 84 0.587 -7.901 -0.551 1.00 0.00 C ATOM 1364 C VAL A 84 0.714 -9.114 -1.466 1.00 0.00 C ATOM 1365 O VAL A 84 0.841 -10.245 -0.999 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.830 -7.313 -0.688 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.879 -8.386 -0.439 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -1.015 -6.142 0.265 1.00 0.00 C ATOM 0 H VAL A 84 1.270 -5.941 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 84 0.745 -8.211 0.482 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.956 -6.945 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.874 -7.952 -0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.758 -9.189 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.758 -8.786 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.022 -5.739 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.870 -6.481 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.286 -5.366 0.033 1.00 0.00 H new ATOM 1378 N MET A 85 0.678 -8.870 -2.772 1.00 0.00 N ATOM 1379 CA MET A 85 0.790 -9.943 -3.753 1.00 0.00 C ATOM 1380 C MET A 85 2.114 -10.684 -3.599 1.00 0.00 C ATOM 1381 O MET A 85 2.198 -11.886 -3.855 1.00 0.00 O ATOM 1382 CB MET A 85 0.668 -9.381 -5.170 1.00 0.00 C ATOM 1383 CG MET A 85 -0.599 -8.572 -5.397 1.00 0.00 C ATOM 1384 SD MET A 85 -2.090 -9.585 -5.338 1.00 0.00 S ATOM 1385 CE MET A 85 -2.704 -9.189 -3.702 1.00 0.00 C ATOM 0 H MET A 85 0.572 -7.939 -3.175 1.00 0.00 H new ATOM 0 HA MET A 85 -0.023 -10.648 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.533 -8.751 -5.378 1.00 0.00 H new ATOM 0 HB3 MET A 85 0.695 -10.205 -5.882 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.666 -7.789 -4.641 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.540 -8.076 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.768 -9.419 -3.647 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.166 -9.778 -2.959 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.552 -8.128 -3.503 1.00 0.00 H new ATOM 1395 N LEU A 86 3.146 -9.960 -3.180 1.00 0.00 N ATOM 1396 CA LEU A 86 4.468 -10.549 -2.992 1.00 0.00 C ATOM 1397 C LEU A 86 4.473 -11.509 -1.806 1.00 0.00 C ATOM 1398 O LEU A 86 4.881 -12.664 -1.930 1.00 0.00 O ATOM 1399 CB LEU A 86 5.512 -9.452 -2.779 1.00 0.00 C ATOM 1400 CG LEU A 86 6.960 -9.835 -3.083 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.150 -10.064 -4.575 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.913 -8.760 -2.581 1.00 0.00 C ATOM 0 H LEU A 86 3.093 -8.965 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 86 4.719 -11.111 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.245 -8.598 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.455 -9.121 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 86 7.186 -10.765 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.187 -10.336 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.495 -10.870 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.905 -9.151 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.939 -9.050 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.687 -7.814 -3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.797 -8.645 -1.503 1.00 0.00 H new ATOM 1414 N LEU A 87 4.014 -11.023 -0.658 1.00 0.00 N ATOM 1415 CA LEU A 87 3.963 -11.838 0.551 1.00 0.00 C ATOM 1416 C LEU A 87 3.214 -13.143 0.297 1.00 0.00 C ATOM 1417 O LEU A 87 3.480 -14.158 0.941 1.00 0.00 O ATOM 1418 CB LEU A 87 3.291 -11.063 1.685 1.00 0.00 C ATOM 1419 CG LEU A 87 2.656 -11.906 2.791 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.661 -11.148 4.110 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.239 -12.307 2.410 1.00 0.00 C ATOM 0 H LEU A 87 3.672 -10.069 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 87 4.986 -12.078 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.033 -10.405 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.520 -10.425 1.254 1.00 0.00 H new ATOM 0 HG LEU A 87 3.248 -12.813 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.205 -11.764 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.688 -10.913 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.094 -10.224 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.803 -12.906 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.636 -11.412 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.261 -12.890 1.490 1.00 0.00 H new ATOM 1433 N CYS A 88 2.279 -13.108 -0.645 1.00 0.00 N ATOM 1434 CA CYS A 88 1.492 -14.288 -0.985 1.00 0.00 C ATOM 1435 C CYS A 88 2.201 -15.128 -2.042 1.00 0.00 C ATOM 1436 O CYS A 88 1.898 -16.309 -2.218 1.00 0.00 O ATOM 1437 CB CYS A 88 0.108 -13.875 -1.488 1.00 0.00 C ATOM 1438 SG CYS A 88 -1.062 -13.461 -0.173 1.00 0.00 S ATOM 0 H CYS A 88 2.047 -12.276 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 88 1.378 -14.891 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.215 -13.015 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -0.306 -14.686 -2.086 1.00 0.00 H new ATOM 0 HG CYS A 88 -2.202 -13.122 -0.697 1.00 0.00 H new ATOM 1444 N HIS A 89 3.145 -14.511 -2.745 1.00 0.00 N ATOM 1445 CA HIS A 89 3.897 -15.202 -3.787 1.00 0.00 C ATOM 1446 C HIS A 89 5.075 -15.967 -3.190 1.00 0.00 C ATOM 1447 O HIS A 89 5.189 -17.180 -3.358 1.00 0.00 O ATOM 1448 CB HIS A 89 4.398 -14.205 -4.831 1.00 0.00 C ATOM 1449 CG HIS A 89 4.606 -14.809 -6.186 1.00 0.00 C ATOM 1450 ND1 HIS A 89 5.251 -16.012 -6.382 1.00 0.00 N ATOM 1451 CD2 HIS A 89 4.249 -14.370 -7.415 1.00 0.00 C ATOM 1452 CE1 HIS A 89 5.283 -16.286 -7.674 1.00 0.00 C ATOM 1453 NE2 HIS A 89 4.681 -15.306 -8.323 1.00 0.00 N ATOM 0 H HIS A 89 3.408 -13.534 -2.612 1.00 0.00 H new ATOM 0 HA HIS A 89 3.229 -15.916 -4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.682 -13.387 -4.913 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.338 -13.773 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.722 -13.454 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.726 -17.163 -8.123 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.557 -15.253 -9.334 1.00 0.00 H new ATOM 1462 N ASN A 90 5.949 -15.248 -2.493 1.00 0.00 N ATOM 1463 CA ASN A 90 7.119 -15.858 -1.873 1.00 0.00 C ATOM 1464 C ASN A 90 6.714 -17.027 -0.979 1.00 0.00 C ATOM 1465 O ASN A 90 7.534 -17.883 -0.650 1.00 0.00 O ATOM 1466 CB ASN A 90 7.889 -14.819 -1.054 1.00 0.00 C ATOM 1467 CG ASN A 90 6.981 -13.749 -0.479 1.00 0.00 C ATOM 1468 OD1 ASN A 90 6.055 -14.045 0.276 1.00 0.00 O ATOM 1469 ND2 ASN A 90 7.244 -12.497 -0.835 1.00 0.00 N ATOM 0 H ASN A 90 5.869 -14.242 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 90 7.764 -16.236 -2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.417 -15.319 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.645 -14.350 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.668 -11.734 -0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.022 -12.298 -1.464 1.00 0.00 H new ATOM 1476 N ALA A 91 5.443 -17.055 -0.592 1.00 0.00 N ATOM 1477 CA ALA A 91 4.928 -18.119 0.261 1.00 0.00 C ATOM 1478 C ALA A 91 4.732 -19.409 -0.529 1.00 0.00 C ATOM 1479 O ALA A 91 4.933 -20.504 -0.005 1.00 0.00 O ATOM 1480 CB ALA A 91 3.619 -17.690 0.908 1.00 0.00 C ATOM 0 H ALA A 91 4.751 -16.353 -0.856 1.00 0.00 H new ATOM 0 HA ALA A 91 5.662 -18.311 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.246 -18.494 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.787 -16.799 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.885 -17.469 0.133 1.00 0.00 H new ATOM 1486 N GLN A 92 4.339 -19.271 -1.791 1.00 0.00 N ATOM 1487 CA GLN A 92 4.115 -20.426 -2.652 1.00 0.00 C ATOM 1488 C GLN A 92 5.428 -20.927 -3.243 1.00 0.00 C ATOM 1489 O GLN A 92 5.583 -22.116 -3.522 1.00 0.00 O ATOM 1490 CB GLN A 92 3.138 -20.071 -3.774 1.00 0.00 C ATOM 1491 CG GLN A 92 1.730 -19.776 -3.285 1.00 0.00 C ATOM 1492 CD GLN A 92 0.901 -19.026 -4.309 1.00 0.00 C ATOM 1493 OE1 GLN A 92 1.260 -17.927 -4.731 1.00 0.00 O ATOM 1494 NE2 GLN A 92 -0.216 -19.619 -4.715 1.00 0.00 N ATOM 0 H GLN A 92 4.169 -18.371 -2.240 1.00 0.00 H new ATOM 0 HA GLN A 92 3.685 -21.222 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.516 -19.202 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.101 -20.895 -4.486 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.232 -20.713 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.784 -19.190 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.475 -20.531 -4.338 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.815 -19.163 -5.403 1.00 0.00 H new ATOM 1503 N THR A 93 6.373 -20.011 -3.434 1.00 0.00 N ATOM 1504 CA THR A 93 7.672 -20.359 -3.994 1.00 0.00 C ATOM 1505 C THR A 93 8.416 -21.338 -3.092 1.00 0.00 C ATOM 1506 O THR A 93 9.101 -22.241 -3.572 1.00 0.00 O ATOM 1507 CB THR A 93 8.546 -19.108 -4.205 1.00 0.00 C ATOM 1508 OG1 THR A 93 8.056 -18.350 -5.317 1.00 0.00 O ATOM 1509 CG2 THR A 93 9.997 -19.496 -4.449 1.00 0.00 C ATOM 0 H THR A 93 6.262 -19.022 -3.209 1.00 0.00 H new ATOM 0 HA THR A 93 7.484 -20.829 -4.959 1.00 0.00 H new ATOM 0 HB THR A 93 8.496 -18.500 -3.301 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.616 -17.556 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.595 -18.596 -4.595 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.376 -20.047 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.061 -20.123 -5.338 1.00 0.00 H new ATOM 1517 N PHE A 94 8.276 -21.153 -1.784 1.00 0.00 N ATOM 1518 CA PHE A 94 8.935 -22.020 -0.814 1.00 0.00 C ATOM 1519 C PHE A 94 8.068 -23.234 -0.494 1.00 0.00 C ATOM 1520 O PHE A 94 8.481 -24.375 -0.697 1.00 0.00 O ATOM 1521 CB PHE A 94 9.242 -21.245 0.469 1.00 0.00 C ATOM 1522 CG PHE A 94 10.462 -21.741 1.191 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.722 -21.588 0.635 1.00 0.00 C ATOM 1524 CD2 PHE A 94 10.349 -22.360 2.425 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.847 -22.043 1.297 1.00 0.00 C ATOM 1526 CE2 PHE A 94 11.470 -22.816 3.092 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.721 -22.658 2.527 1.00 0.00 C ATOM 0 H PHE A 94 7.712 -20.410 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 94 9.871 -22.369 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.378 -20.192 0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.383 -21.309 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.826 -21.108 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.374 -22.488 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.823 -21.918 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.368 -23.296 4.054 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.598 -23.015 3.046 1.00 0.00 H new ATOM 1537 N ASN A 95 6.865 -22.979 0.009 1.00 0.00 N ATOM 1538 CA ASN A 95 5.940 -24.051 0.360 1.00 0.00 C ATOM 1539 C ASN A 95 5.594 -24.893 -0.865 1.00 0.00 C ATOM 1540 O ASN A 95 5.846 -24.489 -2.001 1.00 0.00 O ATOM 1541 CB ASN A 95 4.662 -23.471 0.970 1.00 0.00 C ATOM 1542 CG ASN A 95 4.876 -22.962 2.383 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.573 -23.654 3.356 1.00 0.00 O ATOM 1544 ND2 ASN A 95 5.399 -21.748 2.502 1.00 0.00 N ATOM 0 H ASN A 95 6.507 -22.040 0.183 1.00 0.00 H new ATOM 0 HA ASN A 95 6.428 -24.692 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.301 -22.655 0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.886 -24.236 0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.565 -21.353 3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.635 -21.210 1.668 1.00 0.00 H new ATOM 1551 N LEU A 96 5.017 -26.065 -0.625 1.00 0.00 N ATOM 1552 CA LEU A 96 4.636 -26.966 -1.708 1.00 0.00 C ATOM 1553 C LEU A 96 3.238 -26.637 -2.223 1.00 0.00 C ATOM 1554 O LEU A 96 2.508 -25.859 -1.610 1.00 0.00 O ATOM 1555 CB LEU A 96 4.688 -28.418 -1.232 1.00 0.00 C ATOM 1556 CG LEU A 96 6.066 -29.080 -1.248 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.149 -30.167 -0.186 1.00 0.00 C ATOM 1558 CD2 LEU A 96 6.367 -29.654 -2.625 1.00 0.00 C ATOM 0 H LEU A 96 4.803 -26.414 0.309 1.00 0.00 H new ATOM 0 HA LEU A 96 5.345 -26.833 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.298 -28.460 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.016 -29.008 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 96 6.814 -28.321 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.137 -30.627 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.979 -29.729 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.391 -30.925 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.352 -30.121 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.614 -30.399 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.351 -28.853 -3.364 1.00 0.00 H new ATOM 1570 N GLU A 97 2.872 -27.238 -3.351 1.00 0.00 N ATOM 1571 CA GLU A 97 1.561 -27.009 -3.946 1.00 0.00 C ATOM 1572 C GLU A 97 0.469 -27.714 -3.146 1.00 0.00 C ATOM 1573 O GLU A 97 0.749 -28.609 -2.349 1.00 0.00 O ATOM 1574 CB GLU A 97 1.542 -27.499 -5.396 1.00 0.00 C ATOM 1575 CG GLU A 97 1.969 -26.443 -6.401 1.00 0.00 C ATOM 1576 CD GLU A 97 1.811 -26.906 -7.836 1.00 0.00 C ATOM 1577 OE1 GLU A 97 0.683 -26.826 -8.365 1.00 0.00 O ATOM 1578 OE2 GLU A 97 2.817 -27.348 -8.430 1.00 0.00 O ATOM 0 H GLU A 97 3.464 -27.886 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 97 1.365 -25.937 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.201 -28.363 -5.487 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.536 -27.838 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.378 -25.540 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.011 -26.176 -6.222 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.776 -27.302 -3.363 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.891 -27.903 -2.654 1.00 0.00 C ATOM 1587 C GLY A 98 -1.537 -28.278 -1.229 1.00 0.00 C ATOM 1588 O GLY A 98 -2.086 -29.231 -0.676 1.00 0.00 O ATOM 0 H GLY A 98 -1.033 -26.563 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.730 -27.207 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.221 -28.793 -3.190 1.00 0.00 H new ATOM 1592 N SER A 99 -0.616 -27.529 -0.632 1.00 0.00 N ATOM 1593 CA SER A 99 -0.185 -27.791 0.736 1.00 0.00 C ATOM 1594 C SER A 99 -1.027 -26.999 1.732 1.00 0.00 C ATOM 1595 O SER A 99 -1.905 -26.230 1.343 1.00 0.00 O ATOM 1596 CB SER A 99 1.294 -27.436 0.904 1.00 0.00 C ATOM 1597 OG SER A 99 1.872 -28.158 1.978 1.00 0.00 O ATOM 0 H SER A 99 -0.153 -26.735 -1.075 1.00 0.00 H new ATOM 0 HA SER A 99 -0.321 -28.854 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.831 -27.657 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.396 -26.366 1.084 1.00 0.00 H new ATOM 0 HG SER A 99 2.818 -27.915 2.064 1.00 0.00 H new ATOM 1603 N GLN A 100 -0.751 -27.195 3.017 1.00 0.00 N ATOM 1604 CA GLN A 100 -1.484 -26.501 4.069 1.00 0.00 C ATOM 1605 C GLN A 100 -1.368 -24.989 3.906 1.00 0.00 C ATOM 1606 O GLN A 100 -2.375 -24.282 3.853 1.00 0.00 O ATOM 1607 CB GLN A 100 -0.961 -26.918 5.445 1.00 0.00 C ATOM 1608 CG GLN A 100 -1.479 -26.052 6.581 1.00 0.00 C ATOM 1609 CD GLN A 100 -2.993 -26.005 6.635 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -3.608 -25.003 6.268 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -3.604 -27.091 7.094 1.00 0.00 N ATOM 0 H GLN A 100 -0.026 -27.828 3.355 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.535 -26.778 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.242 -27.954 5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.128 -26.879 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.097 -26.434 7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.092 -25.040 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.055 -27.899 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.622 -27.117 7.153 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.135 -24.500 3.826 1.00 0.00 N ATOM 1621 CA ILE A 101 0.111 -23.072 3.668 1.00 0.00 C ATOM 1622 C ILE A 101 -0.276 -22.599 2.270 1.00 0.00 C ATOM 1623 O ILE A 101 -0.870 -21.533 2.107 1.00 0.00 O ATOM 1624 CB ILE A 101 1.589 -22.723 3.925 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.959 -23.015 5.381 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.855 -21.264 3.587 1.00 0.00 C ATOM 1627 CD1 ILE A 101 3.410 -22.736 5.703 1.00 0.00 C ATOM 0 H ILE A 101 0.709 -25.072 3.868 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.508 -22.562 4.406 1.00 0.00 H new ATOM 0 HB ILE A 101 2.211 -23.344 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.328 -22.414 6.035 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.741 -24.060 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.904 -21.033 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.626 -21.086 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.226 -20.626 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.601 -22.965 6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.048 -23.357 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.629 -21.685 5.516 1.00 0.00 H new ATOM 1639 N TYR A 102 0.064 -23.399 1.266 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.246 -23.063 -0.118 1.00 0.00 C ATOM 1641 C TYR A 102 -1.677 -22.547 -0.246 1.00 0.00 C ATOM 1642 O TYR A 102 -1.901 -21.380 -0.565 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.050 -24.284 -1.018 1.00 0.00 C ATOM 1644 CG TYR A 102 0.196 -23.934 -2.468 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.479 -23.667 -2.931 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -0.854 -23.871 -3.376 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.708 -23.346 -4.254 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.633 -23.553 -4.702 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.649 -23.290 -5.136 1.00 0.00 C ATOM 1650 OH TYR A 102 0.874 -22.973 -6.456 1.00 0.00 O ATOM 0 H TYR A 102 0.555 -24.285 1.385 1.00 0.00 H new ATOM 0 HA TYR A 102 0.436 -22.274 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.792 -24.868 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.933 -24.920 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.311 -23.711 -2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.860 -24.074 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.711 -23.140 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.460 -23.511 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 102 0.024 -22.978 -6.943 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.641 -23.427 0.008 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.049 -23.061 -0.078 1.00 0.00 C ATOM 1662 C GLU A 103 -4.287 -21.670 0.502 1.00 0.00 C ATOM 1663 O GLU A 103 -4.995 -20.853 -0.086 1.00 0.00 O ATOM 1664 CB GLU A 103 -4.912 -24.088 0.658 1.00 0.00 C ATOM 1665 CG GLU A 103 -4.879 -25.472 0.032 1.00 0.00 C ATOM 1666 CD GLU A 103 -5.842 -26.436 0.697 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -5.599 -26.810 1.863 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -6.841 -26.816 0.050 1.00 0.00 O ATOM 0 H GLU A 103 -2.472 -24.397 0.275 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.331 -23.049 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.575 -24.158 1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.943 -23.734 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.123 -25.393 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.867 -25.872 0.097 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.691 -21.410 1.661 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.837 -20.118 2.322 1.00 0.00 C ATOM 1677 C ASP A 104 -3.405 -18.983 1.399 1.00 0.00 C ATOM 1678 O ASP A 104 -4.171 -18.055 1.139 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.013 -20.085 3.611 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.254 -21.302 4.482 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -3.757 -22.318 3.958 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -2.937 -21.239 5.688 1.00 0.00 O ATOM 0 H ASP A 104 -3.103 -22.076 2.162 1.00 0.00 H new ATOM 0 HA ASP A 104 -4.890 -19.981 2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.954 -20.025 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.259 -19.184 4.174 1.00 0.00 H new ATOM 1687 N SER A 105 -2.172 -19.063 0.907 1.00 0.00 N ATOM 1688 CA SER A 105 -1.636 -18.040 0.017 1.00 0.00 C ATOM 1689 C SER A 105 -2.654 -17.666 -1.056 1.00 0.00 C ATOM 1690 O SER A 105 -2.751 -16.507 -1.458 1.00 0.00 O ATOM 1691 CB SER A 105 -0.344 -18.531 -0.639 1.00 0.00 C ATOM 1692 OG SER A 105 -0.608 -19.553 -1.584 1.00 0.00 O ATOM 0 H SER A 105 -1.526 -19.826 1.110 1.00 0.00 H new ATOM 0 HA SER A 105 -1.419 -17.153 0.612 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.157 -17.697 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.336 -18.906 0.126 1.00 0.00 H new ATOM 0 HG SER A 105 -0.684 -20.414 -1.122 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.411 -18.657 -1.516 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.423 -18.433 -2.541 1.00 0.00 C ATOM 1700 C ILE A 106 -5.641 -17.720 -1.965 1.00 0.00 C ATOM 1701 O ILE A 106 -6.234 -16.858 -2.614 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.874 -19.757 -3.185 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.768 -20.316 -4.083 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -6.154 -19.550 -3.980 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.779 -21.194 -3.348 1.00 0.00 C ATOM 0 H ILE A 106 -3.342 -19.623 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.965 -17.804 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.073 -20.479 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.222 -20.891 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.232 -19.487 -4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.460 -20.495 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.941 -19.192 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.980 -18.815 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.024 -21.555 -4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.297 -20.617 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.303 -22.043 -2.909 1.00 0.00 H new ATOM 1717 N VAL A 107 -6.009 -18.085 -0.740 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.155 -17.478 -0.074 1.00 0.00 C ATOM 1719 C VAL A 107 -6.911 -15.998 0.202 1.00 0.00 C ATOM 1720 O VAL A 107 -7.623 -15.134 -0.310 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.475 -18.191 1.253 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.599 -17.474 1.987 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -7.835 -19.647 1.002 1.00 0.00 C ATOM 0 H VAL A 107 -5.530 -18.798 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.005 -17.583 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.586 -18.164 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.811 -17.992 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.298 -16.448 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.494 -17.467 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.058 -20.135 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.709 -19.699 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.996 -20.152 0.523 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.899 -15.714 1.014 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.559 -14.338 1.359 1.00 0.00 C ATOM 1735 C LEU A 108 -5.708 -13.420 0.150 1.00 0.00 C ATOM 1736 O LEU A 108 -6.213 -12.304 0.265 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.128 -14.264 1.896 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.818 -15.150 3.103 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.315 -15.275 3.301 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.479 -14.595 4.356 1.00 0.00 C ATOM 0 H LEU A 108 -5.300 -16.418 1.446 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.249 -14.003 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.444 -14.530 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.915 -13.229 2.166 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.223 -16.144 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.113 -15.909 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.867 -15.719 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.887 -14.287 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.248 -15.238 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.105 -13.590 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.559 -14.559 4.212 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.268 -13.901 -1.009 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.354 -13.124 -2.240 1.00 0.00 C ATOM 1754 C GLN A 109 -6.805 -12.785 -2.569 1.00 0.00 C ATOM 1755 O GLN A 109 -7.141 -11.627 -2.817 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.722 -13.895 -3.400 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.225 -13.671 -3.534 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.672 -14.195 -4.845 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -2.575 -13.461 -5.829 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -2.306 -15.471 -4.866 1.00 0.00 N ATOM 0 H GLN A 109 -4.849 -14.824 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.807 -12.193 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.911 -14.960 -3.264 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.210 -13.601 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.012 -12.605 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.713 -14.161 -2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.404 -16.043 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.927 -15.879 -5.721 1.00 0.00 H new ATOM 1769 N SER A 110 -7.659 -13.803 -2.569 1.00 0.00 N ATOM 1770 CA SER A 110 -9.073 -13.614 -2.872 1.00 0.00 C ATOM 1771 C SER A 110 -9.698 -12.587 -1.932 1.00 0.00 C ATOM 1772 O SER A 110 -10.665 -11.912 -2.285 1.00 0.00 O ATOM 1773 CB SER A 110 -9.822 -14.943 -2.765 1.00 0.00 C ATOM 1774 OG SER A 110 -11.185 -14.792 -3.123 1.00 0.00 O ATOM 0 H SER A 110 -7.397 -14.767 -2.363 1.00 0.00 H new ATOM 0 HA SER A 110 -9.153 -13.242 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.352 -15.682 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.751 -15.323 -1.746 1.00 0.00 H new ATOM 0 HG SER A 110 -11.641 -15.656 -3.048 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.137 -12.476 -0.731 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.637 -11.532 0.261 1.00 0.00 C ATOM 1782 C VAL A 111 -9.161 -10.116 -0.039 1.00 0.00 C ATOM 1783 O VAL A 111 -9.920 -9.154 0.084 1.00 0.00 O ATOM 1784 CB VAL A 111 -9.190 -11.923 1.682 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -10.021 -11.190 2.724 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.285 -13.429 1.875 1.00 0.00 C ATOM 0 H VAL A 111 -8.337 -13.028 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.725 -11.564 0.209 1.00 0.00 H new ATOM 0 HB VAL A 111 -8.148 -11.629 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.691 -11.479 3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.896 -10.115 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.072 -11.451 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.965 -13.687 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.316 -13.750 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.642 -13.930 1.151 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.898 -9.993 -0.434 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.318 -8.693 -0.751 1.00 0.00 C ATOM 1798 C PHE A 112 -8.139 -7.978 -1.820 1.00 0.00 C ATOM 1799 O PHE A 112 -8.565 -6.838 -1.634 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.873 -8.857 -1.227 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.245 -7.574 -1.690 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -4.622 -6.727 -0.788 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -5.278 -7.215 -3.028 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.044 -5.546 -1.211 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -4.701 -6.035 -3.457 1.00 0.00 C ATOM 1806 CZ PHE A 112 -4.082 -5.199 -2.548 1.00 0.00 C ATOM 0 H PHE A 112 -7.256 -10.778 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.328 -8.088 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.276 -9.272 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.847 -9.580 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.588 -6.993 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.760 -7.865 -3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.563 -4.894 -0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -4.734 -5.766 -4.503 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.629 -4.277 -2.881 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.358 -8.657 -2.942 1.00 0.00 N ATOM 1817 CA LYS A 113 -9.128 -8.089 -4.042 1.00 0.00 C ATOM 1818 C LYS A 113 -10.441 -7.498 -3.539 1.00 0.00 C ATOM 1819 O LYS A 113 -10.727 -6.321 -3.757 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.410 -9.159 -5.099 1.00 0.00 C ATOM 1821 CG LYS A 113 -8.259 -9.377 -6.066 1.00 0.00 C ATOM 1822 CD LYS A 113 -8.248 -10.797 -6.609 1.00 0.00 C ATOM 1823 CE LYS A 113 -7.281 -10.940 -7.774 1.00 0.00 C ATOM 1824 NZ LYS A 113 -7.569 -12.154 -8.587 1.00 0.00 N ATOM 0 H LYS A 113 -8.013 -9.601 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.539 -7.289 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.637 -10.101 -4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.299 -8.875 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.338 -8.671 -6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.315 -9.172 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.968 -11.489 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.252 -11.072 -6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.342 -10.055 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.260 -10.990 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.889 -12.216 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.486 -13.000 -7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.534 -12.094 -8.970 1.00 0.00 H new ATOM 1838 N SER A 114 -11.236 -8.323 -2.865 1.00 0.00 N ATOM 1839 CA SER A 114 -12.521 -7.882 -2.333 1.00 0.00 C ATOM 1840 C SER A 114 -12.333 -6.744 -1.334 1.00 0.00 C ATOM 1841 O SER A 114 -13.125 -5.804 -1.291 1.00 0.00 O ATOM 1842 CB SER A 114 -13.247 -9.050 -1.662 1.00 0.00 C ATOM 1843 OG SER A 114 -14.056 -9.748 -2.593 1.00 0.00 O ATOM 0 H SER A 114 -11.013 -9.300 -2.674 1.00 0.00 H new ATOM 0 HA SER A 114 -13.125 -7.517 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.518 -9.733 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.865 -8.677 -0.845 1.00 0.00 H new ATOM 0 HG SER A 114 -14.508 -10.491 -2.141 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.278 -6.838 -0.531 1.00 0.00 N ATOM 1850 CA ALA A 115 -10.984 -5.817 0.467 1.00 0.00 C ATOM 1851 C ALA A 115 -10.934 -4.430 -0.165 1.00 0.00 C ATOM 1852 O ALA A 115 -11.388 -3.451 0.427 1.00 0.00 O ATOM 1853 CB ALA A 115 -9.670 -6.128 1.169 1.00 0.00 C ATOM 0 H ALA A 115 -10.613 -7.611 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.787 -5.822 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.463 -5.357 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.742 -7.097 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -8.863 -6.152 0.437 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.378 -4.354 -1.370 1.00 0.00 N ATOM 1860 CA ARG A 116 -10.267 -3.087 -2.081 1.00 0.00 C ATOM 1861 C ARG A 116 -11.620 -2.657 -2.641 1.00 0.00 C ATOM 1862 O ARG A 116 -12.174 -1.636 -2.235 1.00 0.00 O ATOM 1863 CB ARG A 116 -9.247 -3.202 -3.216 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.628 -1.872 -3.615 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.229 -2.057 -4.183 1.00 0.00 C ATOM 1866 NE ARG A 116 -7.208 -3.017 -5.284 1.00 0.00 N ATOM 1867 CZ ARG A 116 -6.092 -3.454 -5.856 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -4.912 -3.020 -5.434 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -6.154 -4.327 -6.853 1.00 0.00 N ATOM 0 H ARG A 116 -9.998 -5.155 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.929 -2.331 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -8.454 -3.886 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.733 -3.643 -4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.261 -1.382 -4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.585 -1.214 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.850 -1.097 -4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.559 -2.396 -3.393 1.00 0.00 H new ATOM 0 HE ARG A 116 -8.099 -3.371 -5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.860 -2.349 -4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -4.057 -3.358 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.059 -4.663 -7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.296 -4.662 -7.292 1.00 0.00 H new