USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot 24:sc= -0.983 USER MOD Set 1.2: A 102 CYS SG : rot 179:sc= -0.121 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -143:sc= 1.45 (180deg=-0.0474) USER MOD Set 1.4: A 115 HIS : no HE2:sc= 0.185 K(o=0.53,f=-3.8) USER MOD Set 1.5: A 116 HIS :FLIP no HE2:sc= -0.06 F(o=-1.8,f=0.53) USER MOD Set 1.6: A 119 HIS : no HE2:sc= 0.0489 K(o=0.53,f=-3.8) USER MOD Set 2.1: A 69 CYS SG : rot 136:sc= 2.41 USER MOD Set 2.2: A 71 THR OG1 : rot 82:sc= 0.773 USER MOD Set 2.3: A 72 CYS SG : rot -37:sc= -0.161 USER MOD Set 2.4: A 85 HIS : no HE2:sc= -0.599 K(o=2.1,f=1.6) USER MOD Set 2.5: A 89 HIS : no HD1:sc= -0.354 K(o=2.1,f=0.28) USER MOD Set 3.1: A 68 GLN : amide:sc= 0.133 K(o=1.9,f=-3.9!) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.78 K(o=1.9,f=-3.9) USER MOD Set 4.1: A 39 CYS SG : rot 15:sc= 1.48 USER MOD Set 4.2: A 57 HIS : no HD1:sc= -1.86 K(o=0.38,f=-2.6) USER MOD Set 4.3: A 58 GLN : amide:sc= 0.761 X(o=0.38,f=0.35) USER MOD Set 4.4: A 61 HIS : no HD1:sc= 0 K(o=0.38,f=-0.2) USER MOD Set 5.1: A 9 CYS SG : rot 90:sc= -0.903 USER MOD Set 5.2: A 14 CYS SG : rot 130:sc= 0.981 USER MOD Set 5.3: A 16 LYS NZ :NH3+ 137:sc= 1.34 (180deg=-0.259) USER MOD Set 5.4: A 18 TYR OH : rot 180:sc= -0.223 USER MOD Set 5.5: A 27 HIS : no HD1:sc= -1.63 K(o=-2,f=-2.8) USER MOD Set 5.6: A 30 LYS NZ :NH3+ 177:sc=-0.00461 (180deg=0) USER MOD Set 5.7: A 31 HIS : no HE2:sc= -1.58 K(o=-2,f=-4.9) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.11 K(o=1.1,f=-0.021) USER MOD Single : A 20 LYS NZ :NH3+ -168:sc=4.22e-05 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00936 USER MOD Single : A 23 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-6.8!) USER MOD Single : A 25 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.25) USER MOD Single : A 26 MET CE :methyl 160:sc= -0.407 (180deg=-1.09) USER MOD Single : A 28 SER OG : rot 71:sc= 1.09 USER MOD Single : A 32 THR OG1 : rot -16:sc= 1.52 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.29 K(o=1.3,f=-7.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.304 USER MOD Single : A 51 SER OG : rot -17:sc= 1.06 USER MOD Single : A 53 GLN : amide:sc= 0.953 K(o=0.95,f=-1.7) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -74:sc= 0.148 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.636 (180deg=0.636) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0678) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.42 (180deg=1.37) USER MOD Single : A 77 SER OG : rot 180:sc= 0.002 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -0.19 F(o=-0.85,f=-0.19) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 99:sc= 1.18 USER MOD Single : A 86 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 88 THR OG1 : rot 103:sc= 1.16 USER MOD Single : A 90 THR OG1 : rot 67:sc= 1.22 USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 0.222 (180deg=-0.0803) USER MOD Single : A 96 SER OG : rot 180:sc= -0.742 USER MOD Single : A 101 SER OG : rot -4:sc= 1.04 USER MOD Single : A 103 GLN : amide:sc= 1.61 K(o=1.6,f=-3.3!) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0.276 (180deg=0.173) USER MOD Single : A 109 SER OG : rot 180:sc= 0.0296 USER MOD Single : A 117 ASN : amide:sc= 0.967 K(o=0.97,f=-0.058) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 2.264 19.588 -7.672 1.00 0.00 N ATOM 98 CA PHE A 7 2.574 18.839 -6.459 1.00 0.00 C ATOM 99 C PHE A 7 4.092 18.703 -6.289 1.00 0.00 C ATOM 100 O PHE A 7 4.820 18.695 -7.258 1.00 0.00 O ATOM 101 CB PHE A 7 1.951 17.433 -6.539 1.00 0.00 C ATOM 102 CG PHE A 7 0.452 17.302 -6.701 1.00 0.00 C ATOM 103 CD1 PHE A 7 -0.131 17.401 -7.962 1.00 0.00 C ATOM 104 CD2 PHE A 7 -0.385 17.080 -5.609 1.00 0.00 C ATOM 105 CE1 PHE A 7 -1.536 17.451 -8.112 1.00 0.00 C ATOM 106 CE2 PHE A 7 -1.775 17.197 -5.740 1.00 0.00 C ATOM 107 CZ PHE A 7 -2.362 17.426 -6.988 1.00 0.00 C ATOM 0 HA PHE A 7 2.162 19.378 -5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 7 2.419 16.913 -7.375 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.232 16.897 -5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.499 17.440 -8.838 1.00 0.00 H new ATOM 0 HD2 PHE A 7 0.042 16.815 -4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.971 17.509 -9.099 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.402 17.109 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.427 17.580 -7.080 1.00 0.00 H new ATOM 117 N MET A 8 4.565 18.674 -5.045 1.00 0.00 N ATOM 118 CA MET A 8 5.967 18.315 -4.758 1.00 0.00 C ATOM 119 C MET A 8 6.050 17.373 -3.575 1.00 0.00 C ATOM 120 O MET A 8 5.233 17.442 -2.652 1.00 0.00 O ATOM 121 CB MET A 8 6.815 19.565 -4.495 1.00 0.00 C ATOM 122 CG MET A 8 6.301 20.495 -3.384 1.00 0.00 C ATOM 123 SD MET A 8 4.965 21.618 -3.884 1.00 0.00 S ATOM 124 CE MET A 8 4.395 22.167 -2.256 1.00 0.00 C ATOM 0 H MET A 8 4.008 18.892 -4.219 1.00 0.00 H new ATOM 0 HA MET A 8 6.364 17.808 -5.638 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.827 19.249 -4.240 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.883 20.137 -5.420 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.950 19.884 -2.552 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.136 21.090 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 8 3.569 22.868 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.058 21.306 -1.679 1.00 0.00 H new ATOM 0 HE3 MET A 8 5.214 22.658 -1.730 1.00 0.00 H new ATOM 134 N CYS A 9 7.081 16.536 -3.576 1.00 0.00 N ATOM 135 CA CYS A 9 7.396 15.699 -2.427 1.00 0.00 C ATOM 136 C CYS A 9 7.916 16.564 -1.251 1.00 0.00 C ATOM 137 O CYS A 9 8.235 17.745 -1.422 1.00 0.00 O ATOM 138 CB CYS A 9 8.450 14.653 -2.815 1.00 0.00 C ATOM 139 SG CYS A 9 8.585 13.427 -1.485 1.00 0.00 S ATOM 0 H CYS A 9 7.716 16.420 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 9 6.487 15.190 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.170 14.166 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.414 15.134 -2.983 1.00 0.00 H new ATOM 0 HG CYS A 9 7.747 12.457 -1.702 1.00 0.00 H new ATOM 144 N ALA A 10 7.974 15.962 -0.065 1.00 0.00 N ATOM 145 CA ALA A 10 8.385 16.658 1.150 1.00 0.00 C ATOM 146 C ALA A 10 9.019 15.674 2.171 1.00 0.00 C ATOM 147 O ALA A 10 9.223 16.029 3.334 1.00 0.00 O ATOM 148 CB ALA A 10 7.168 17.356 1.776 1.00 0.00 C ATOM 0 H ALA A 10 7.738 14.980 0.080 1.00 0.00 H new ATOM 0 HA ALA A 10 9.138 17.401 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.474 17.876 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.756 18.074 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.409 16.613 2.022 1.00 0.00 H new ATOM 154 N TYR A 11 9.367 14.455 1.713 1.00 0.00 N ATOM 155 CA TYR A 11 10.119 13.508 2.552 1.00 0.00 C ATOM 156 C TYR A 11 11.517 14.098 2.885 1.00 0.00 C ATOM 157 O TYR A 11 12.074 14.852 2.092 1.00 0.00 O ATOM 158 CB TYR A 11 10.272 12.158 1.816 1.00 0.00 C ATOM 159 CG TYR A 11 10.828 11.001 2.647 1.00 0.00 C ATOM 160 CD1 TYR A 11 10.001 10.291 3.549 1.00 0.00 C ATOM 161 CD2 TYR A 11 12.185 10.635 2.532 1.00 0.00 C ATOM 162 CE1 TYR A 11 10.529 9.264 4.362 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.728 9.662 3.393 1.00 0.00 C ATOM 164 CZ TYR A 11 11.911 8.984 4.323 1.00 0.00 C ATOM 165 OH TYR A 11 12.476 8.100 5.194 1.00 0.00 O ATOM 0 H TYR A 11 9.142 14.109 0.780 1.00 0.00 H new ATOM 0 HA TYR A 11 9.574 13.341 3.481 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.296 11.865 1.429 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.924 12.308 0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.952 10.538 3.617 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.808 11.101 1.783 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.878 8.696 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.782 9.432 3.341 1.00 0.00 H new ATOM 0 HH TYR A 11 13.437 8.035 5.016 1.00 0.00 H new ATOM 175 N PRO A 12 12.086 13.772 4.077 1.00 0.00 N ATOM 176 CA PRO A 12 13.358 14.366 4.546 1.00 0.00 C ATOM 177 C PRO A 12 14.541 14.198 3.546 1.00 0.00 C ATOM 178 O PRO A 12 15.597 14.800 3.731 1.00 0.00 O ATOM 179 CB PRO A 12 13.648 13.610 5.848 1.00 0.00 C ATOM 180 CG PRO A 12 12.257 13.270 6.382 1.00 0.00 C ATOM 181 CD PRO A 12 11.472 12.946 5.113 1.00 0.00 C ATOM 0 HA PRO A 12 13.262 15.445 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.239 12.712 5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.209 14.224 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.284 12.423 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.818 14.106 6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.538 11.886 4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.414 13.180 5.231 1.00 0.00 H new ATOM 189 N GLY A 13 14.347 13.373 2.500 1.00 0.00 N ATOM 190 CA GLY A 13 15.399 13.142 1.492 1.00 0.00 C ATOM 191 C GLY A 13 14.930 13.452 0.049 1.00 0.00 C ATOM 192 O GLY A 13 15.613 13.099 -0.911 1.00 0.00 O ATOM 0 H GLY A 13 13.481 12.860 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.264 13.762 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.726 12.104 1.547 1.00 0.00 H new ATOM 196 N CYS A 14 13.750 14.089 -0.091 1.00 0.00 N ATOM 197 CA CYS A 14 13.172 14.375 -1.417 1.00 0.00 C ATOM 198 C CYS A 14 12.454 15.746 -1.439 1.00 0.00 C ATOM 199 O CYS A 14 12.223 16.364 -0.397 1.00 0.00 O ATOM 200 CB CYS A 14 12.181 13.268 -1.798 1.00 0.00 C ATOM 201 SG CYS A 14 11.680 13.372 -3.554 1.00 0.00 S ATOM 0 H CYS A 14 13.183 14.413 0.693 1.00 0.00 H new ATOM 0 HA CYS A 14 13.987 14.409 -2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.633 12.295 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.297 13.339 -1.164 1.00 0.00 H new ATOM 0 HG CYS A 14 11.817 12.207 -4.114 1.00 0.00 H new ATOM 206 N ASN A 15 12.118 16.204 -2.650 1.00 0.00 N ATOM 207 CA ASN A 15 11.401 17.476 -2.852 1.00 0.00 C ATOM 208 C ASN A 15 10.950 17.616 -4.336 1.00 0.00 C ATOM 209 O ASN A 15 10.807 18.731 -4.855 1.00 0.00 O ATOM 210 CB ASN A 15 12.322 18.668 -2.462 1.00 0.00 C ATOM 211 CG ASN A 15 11.682 19.549 -1.401 1.00 0.00 C ATOM 212 OD1 ASN A 15 11.422 20.724 -1.607 1.00 0.00 O ATOM 213 ND2 ASN A 15 11.435 18.997 -0.231 1.00 0.00 N ATOM 0 H ASN A 15 12.332 15.709 -3.516 1.00 0.00 H new ATOM 0 HA ASN A 15 10.515 17.484 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.274 18.287 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.540 19.265 -3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.021 19.552 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.658 18.014 -0.074 1.00 0.00 H new ATOM 220 N LYS A 16 10.807 16.470 -5.023 1.00 0.00 N ATOM 221 CA LYS A 16 10.599 16.448 -6.472 1.00 0.00 C ATOM 222 C LYS A 16 9.188 16.825 -6.822 1.00 0.00 C ATOM 223 O LYS A 16 8.267 16.586 -6.050 1.00 0.00 O ATOM 224 CB LYS A 16 10.905 15.040 -7.015 1.00 0.00 C ATOM 225 CG LYS A 16 12.386 14.654 -6.846 1.00 0.00 C ATOM 226 CD LYS A 16 12.583 13.136 -6.994 1.00 0.00 C ATOM 227 CE LYS A 16 14.002 12.681 -6.624 1.00 0.00 C ATOM 228 NZ LYS A 16 14.326 12.973 -5.212 1.00 0.00 N ATOM 0 H LYS A 16 10.833 15.546 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 16 11.271 17.176 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.281 14.311 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.639 14.995 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.988 15.176 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.739 14.976 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.863 12.617 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.370 12.845 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.098 11.610 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.723 13.179 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.815 12.157 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.943 13.809 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.448 13.159 -4.686 1.00 0.00 H new ATOM 242 N ARG A 17 9.011 17.423 -8.000 1.00 0.00 N ATOM 243 CA ARG A 17 7.732 17.986 -8.379 1.00 0.00 C ATOM 244 C ARG A 17 6.944 17.033 -9.285 1.00 0.00 C ATOM 245 O ARG A 17 7.423 16.610 -10.334 1.00 0.00 O ATOM 246 CB ARG A 17 7.945 19.333 -9.099 1.00 0.00 C ATOM 247 CG ARG A 17 9.054 19.378 -10.171 1.00 0.00 C ATOM 248 CD ARG A 17 9.284 20.795 -10.711 1.00 0.00 C ATOM 249 NE ARG A 17 8.326 21.174 -11.765 1.00 0.00 N ATOM 250 CZ ARG A 17 8.493 21.035 -13.076 1.00 0.00 C ATOM 251 NH1 ARG A 17 9.537 20.431 -13.603 1.00 0.00 N ATOM 252 NH2 ARG A 17 7.589 21.511 -13.895 1.00 0.00 N ATOM 0 H ARG A 17 9.743 17.526 -8.703 1.00 0.00 H new ATOM 0 HA ARG A 17 7.152 18.143 -7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.005 19.619 -9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.168 20.089 -8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.983 18.998 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.787 18.716 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.211 21.507 -9.889 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.297 20.867 -11.106 1.00 0.00 H new ATOM 0 HE ARG A 17 7.445 21.585 -11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.262 20.045 -12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.621 20.349 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.764 21.984 -13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.709 21.409 -14.903 1.00 0.00 H new ATOM 266 N TYR A 18 5.711 16.766 -8.881 1.00 0.00 N ATOM 267 CA TYR A 18 4.765 15.967 -9.624 1.00 0.00 C ATOM 268 C TYR A 18 3.644 16.855 -10.183 1.00 0.00 C ATOM 269 O TYR A 18 3.527 18.030 -9.825 1.00 0.00 O ATOM 270 CB TYR A 18 4.165 14.912 -8.692 1.00 0.00 C ATOM 271 CG TYR A 18 5.164 13.887 -8.231 1.00 0.00 C ATOM 272 CD1 TYR A 18 6.112 14.219 -7.244 1.00 0.00 C ATOM 273 CD2 TYR A 18 5.222 12.650 -8.886 1.00 0.00 C ATOM 274 CE1 TYR A 18 7.204 13.373 -7.015 1.00 0.00 C ATOM 275 CE2 TYR A 18 6.340 11.826 -8.696 1.00 0.00 C ATOM 276 CZ TYR A 18 7.366 12.218 -7.809 1.00 0.00 C ATOM 277 OH TYR A 18 8.511 11.493 -7.720 1.00 0.00 O ATOM 0 H TYR A 18 5.336 17.113 -7.998 1.00 0.00 H new ATOM 0 HA TYR A 18 5.277 15.483 -10.456 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.736 15.408 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.347 14.407 -9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.997 15.124 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.414 12.335 -9.530 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.917 13.603 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.417 10.890 -9.229 1.00 0.00 H new ATOM 0 HH TYR A 18 8.463 10.729 -8.331 1.00 0.00 H new ATOM 287 N PHE A 19 2.818 16.282 -11.055 1.00 0.00 N ATOM 288 CA PHE A 19 1.736 17.029 -11.699 1.00 0.00 C ATOM 289 C PHE A 19 0.349 16.483 -11.290 1.00 0.00 C ATOM 290 O PHE A 19 -0.674 17.080 -11.618 1.00 0.00 O ATOM 291 CB PHE A 19 1.897 16.950 -13.222 1.00 0.00 C ATOM 292 CG PHE A 19 3.257 17.454 -13.677 1.00 0.00 C ATOM 293 CD1 PHE A 19 3.488 18.837 -13.802 1.00 0.00 C ATOM 294 CD2 PHE A 19 4.319 16.549 -13.877 1.00 0.00 C ATOM 295 CE1 PHE A 19 4.774 19.315 -14.113 1.00 0.00 C ATOM 296 CE2 PHE A 19 5.603 17.027 -14.191 1.00 0.00 C ATOM 297 CZ PHE A 19 5.832 18.409 -14.305 1.00 0.00 C ATOM 0 H PHE A 19 2.876 15.302 -11.333 1.00 0.00 H new ATOM 0 HA PHE A 19 1.796 18.067 -11.372 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.765 15.918 -13.548 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.114 17.538 -13.700 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.675 19.533 -13.659 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.146 15.487 -13.789 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.948 20.377 -14.204 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.415 16.331 -14.345 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.821 18.775 -14.540 1.00 0.00 H new ATOM 307 N LYS A 20 0.329 15.332 -10.587 1.00 0.00 N ATOM 308 CA LYS A 20 -0.935 14.675 -10.198 1.00 0.00 C ATOM 309 C LYS A 20 -0.934 14.295 -8.733 1.00 0.00 C ATOM 310 O LYS A 20 0.057 13.800 -8.210 1.00 0.00 O ATOM 311 CB LYS A 20 -1.148 13.398 -11.059 1.00 0.00 C ATOM 312 CG LYS A 20 -2.417 13.439 -11.933 1.00 0.00 C ATOM 313 CD LYS A 20 -2.510 14.612 -12.925 1.00 0.00 C ATOM 314 CE LYS A 20 -1.293 14.717 -13.849 1.00 0.00 C ATOM 315 NZ LYS A 20 -1.312 15.987 -14.600 1.00 0.00 N ATOM 0 H LYS A 20 1.168 14.841 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.746 15.383 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.280 13.257 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.201 12.532 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.478 12.507 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.286 13.473 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.409 14.497 -13.530 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.617 15.543 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.378 14.651 -13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.286 13.878 -14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.602 15.952 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.255 16.131 -15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.092 16.774 -13.957 1.00 0.00 H new ATOM 329 N LEU A 21 -2.092 14.426 -8.103 1.00 0.00 N ATOM 330 CA LEU A 21 -2.250 14.089 -6.705 1.00 0.00 C ATOM 331 C LEU A 21 -1.963 12.603 -6.468 1.00 0.00 C ATOM 332 O LEU A 21 -1.095 12.252 -5.682 1.00 0.00 O ATOM 333 CB LEU A 21 -3.677 14.434 -6.255 1.00 0.00 C ATOM 334 CG LEU A 21 -3.811 14.670 -4.740 1.00 0.00 C ATOM 335 CD1 LEU A 21 -4.838 15.782 -4.512 1.00 0.00 C ATOM 336 CD2 LEU A 21 -4.252 13.409 -3.993 1.00 0.00 C ATOM 0 H LEU A 21 -2.943 14.768 -8.549 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.536 14.668 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.008 15.328 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.346 13.625 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.833 14.951 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.946 15.963 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.501 16.695 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.799 15.480 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.332 13.626 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.221 13.083 -4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.517 12.619 -4.148 1.00 0.00 H new ATOM 348 N SER A 22 -2.689 11.739 -7.175 1.00 0.00 N ATOM 349 CA SER A 22 -2.565 10.291 -6.999 1.00 0.00 C ATOM 350 C SER A 22 -1.210 9.773 -7.477 1.00 0.00 C ATOM 351 O SER A 22 -0.626 8.907 -6.850 1.00 0.00 O ATOM 352 CB SER A 22 -3.680 9.581 -7.770 1.00 0.00 C ATOM 353 OG SER A 22 -3.762 10.082 -9.094 1.00 0.00 O ATOM 0 H SER A 22 -3.373 12.017 -7.879 1.00 0.00 H new ATOM 0 HA SER A 22 -2.649 10.079 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.490 8.508 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.632 9.726 -7.260 1.00 0.00 H new ATOM 0 HG SER A 22 -4.478 9.618 -9.576 1.00 0.00 H new ATOM 359 N HIS A 23 -0.705 10.326 -8.578 1.00 0.00 N ATOM 360 CA HIS A 23 0.588 9.897 -9.127 1.00 0.00 C ATOM 361 C HIS A 23 1.750 10.357 -8.201 1.00 0.00 C ATOM 362 O HIS A 23 2.727 9.625 -7.998 1.00 0.00 O ATOM 363 CB HIS A 23 0.759 10.448 -10.573 1.00 0.00 C ATOM 364 CG HIS A 23 1.807 11.437 -11.025 1.00 0.00 C ATOM 365 ND1 HIS A 23 2.463 11.367 -12.234 1.00 0.00 N ATOM 366 CD2 HIS A 23 2.049 12.679 -10.522 1.00 0.00 C ATOM 367 CE1 HIS A 23 3.076 12.542 -12.447 1.00 0.00 C ATOM 368 NE2 HIS A 23 2.841 13.383 -11.434 1.00 0.00 N ATOM 0 H HIS A 23 -1.164 11.067 -9.107 1.00 0.00 H new ATOM 0 HA HIS A 23 0.615 8.808 -9.174 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.886 9.572 -11.209 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.200 10.895 -10.834 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.480 10.561 -12.859 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.689 13.057 -9.576 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.675 12.776 -13.315 1.00 0.00 H new ATOM 376 N LEU A 24 1.535 11.486 -7.513 1.00 0.00 N ATOM 377 CA LEU A 24 2.439 11.902 -6.444 1.00 0.00 C ATOM 378 C LEU A 24 2.246 11.015 -5.168 1.00 0.00 C ATOM 379 O LEU A 24 3.212 10.643 -4.513 1.00 0.00 O ATOM 380 CB LEU A 24 2.220 13.373 -6.115 1.00 0.00 C ATOM 381 CG LEU A 24 3.191 14.127 -5.173 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.363 14.811 -4.079 1.00 0.00 C ATOM 383 CD2 LEU A 24 4.382 13.345 -4.591 1.00 0.00 C ATOM 0 H LEU A 24 0.752 12.118 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 24 3.464 11.770 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.206 13.914 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.223 13.460 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 24 3.707 14.847 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.027 15.349 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.665 15.512 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.807 14.059 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.972 14.002 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.013 12.504 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.006 12.974 -5.404 1.00 0.00 H new ATOM 395 N GLN A 25 0.990 10.664 -4.852 1.00 0.00 N ATOM 396 CA GLN A 25 0.700 9.737 -3.736 1.00 0.00 C ATOM 397 C GLN A 25 1.360 8.365 -3.990 1.00 0.00 C ATOM 398 O GLN A 25 1.895 7.748 -3.072 1.00 0.00 O ATOM 399 CB GLN A 25 -0.821 9.562 -3.557 1.00 0.00 C ATOM 400 CG GLN A 25 -1.506 10.729 -2.817 1.00 0.00 C ATOM 401 CD GLN A 25 -1.034 10.972 -1.380 1.00 0.00 C ATOM 402 OE1 GLN A 25 -0.546 10.091 -0.682 1.00 0.00 O ATOM 403 NE2 GLN A 25 -1.196 12.187 -0.892 1.00 0.00 N ATOM 0 H GLN A 25 0.163 11.002 -5.345 1.00 0.00 H new ATOM 0 HA GLN A 25 1.113 10.165 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.281 9.448 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.008 8.639 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.348 11.642 -3.391 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.580 10.544 -2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.602 12.920 -1.473 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.915 12.393 0.067 1.00 0.00 H new ATOM 412 N MET A 26 1.346 7.915 -5.253 1.00 0.00 N ATOM 413 CA MET A 26 2.038 6.688 -5.642 1.00 0.00 C ATOM 414 C MET A 26 3.548 6.830 -5.404 1.00 0.00 C ATOM 415 O MET A 26 4.148 5.994 -4.726 1.00 0.00 O ATOM 416 CB MET A 26 1.766 6.358 -7.119 1.00 0.00 C ATOM 417 CG MET A 26 0.321 5.936 -7.448 1.00 0.00 C ATOM 418 SD MET A 26 -0.614 4.995 -6.201 1.00 0.00 S ATOM 419 CE MET A 26 -1.532 6.280 -5.312 1.00 0.00 C ATOM 0 H MET A 26 0.862 8.385 -6.018 1.00 0.00 H new ATOM 0 HA MET A 26 1.659 5.871 -5.028 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.017 7.231 -7.721 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.439 5.557 -7.424 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.245 6.840 -7.674 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.349 5.340 -8.360 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.377 5.829 -4.792 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.875 6.761 -4.588 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.897 7.023 -6.021 1.00 0.00 H new ATOM 429 N HIS A 27 4.125 7.987 -5.807 1.00 0.00 N ATOM 430 CA HIS A 27 5.539 8.287 -5.501 1.00 0.00 C ATOM 431 C HIS A 27 5.767 8.255 -3.986 1.00 0.00 C ATOM 432 O HIS A 27 6.721 7.636 -3.505 1.00 0.00 O ATOM 433 CB HIS A 27 5.925 9.681 -6.046 1.00 0.00 C ATOM 434 CG HIS A 27 7.235 10.140 -5.439 1.00 0.00 C ATOM 435 ND1 HIS A 27 8.442 9.472 -5.526 1.00 0.00 N ATOM 436 CD2 HIS A 27 7.411 11.193 -4.578 1.00 0.00 C ATOM 437 CE1 HIS A 27 9.319 10.106 -4.730 1.00 0.00 C ATOM 438 NE2 HIS A 27 8.742 11.172 -4.170 1.00 0.00 N ATOM 0 H HIS A 27 3.642 8.714 -6.335 1.00 0.00 H new ATOM 0 HA HIS A 27 6.162 7.531 -5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.013 9.643 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.138 10.399 -5.816 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.658 11.905 -4.274 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.341 9.798 -4.567 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.194 11.848 -3.555 1.00 0.00 H new ATOM 446 N SER A 28 4.814 8.812 -3.240 1.00 0.00 N ATOM 447 CA SER A 28 4.902 8.890 -1.789 1.00 0.00 C ATOM 448 C SER A 28 5.023 7.501 -1.173 1.00 0.00 C ATOM 449 O SER A 28 5.702 7.332 -0.171 1.00 0.00 O ATOM 450 CB SER A 28 3.667 9.602 -1.221 1.00 0.00 C ATOM 451 OG SER A 28 3.446 10.851 -1.854 1.00 0.00 O ATOM 0 H SER A 28 3.963 9.220 -3.627 1.00 0.00 H new ATOM 0 HA SER A 28 5.796 9.460 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.790 8.968 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.795 9.754 -0.149 1.00 0.00 H new ATOM 0 HG SER A 28 3.135 10.702 -2.771 1.00 0.00 H new ATOM 457 N ARG A 29 4.365 6.495 -1.781 1.00 0.00 N ATOM 458 CA ARG A 29 4.415 5.118 -1.257 1.00 0.00 C ATOM 459 C ARG A 29 5.872 4.642 -1.132 1.00 0.00 C ATOM 460 O ARG A 29 6.245 4.048 -0.118 1.00 0.00 O ATOM 461 CB ARG A 29 3.630 4.167 -2.179 1.00 0.00 C ATOM 462 CG ARG A 29 3.273 2.807 -1.536 1.00 0.00 C ATOM 463 CD ARG A 29 4.411 1.772 -1.469 1.00 0.00 C ATOM 464 NE ARG A 29 3.987 0.472 -0.921 1.00 0.00 N ATOM 465 CZ ARG A 29 4.130 0.043 0.332 1.00 0.00 C ATOM 466 NH1 ARG A 29 4.406 0.822 1.358 1.00 0.00 N ATOM 467 NH2 ARG A 29 3.993 -1.240 0.570 1.00 0.00 N ATOM 0 H ARG A 29 3.801 6.608 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 29 3.958 5.110 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.710 4.660 -2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.217 3.987 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.915 2.990 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.444 2.371 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.815 1.622 -2.470 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.219 2.171 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 29 3.535 -0.170 -1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.525 1.826 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.501 0.422 2.291 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.782 -1.881 -0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.097 -1.596 1.520 1.00 0.00 H new ATOM 481 N LYS A 30 6.721 5.016 -2.107 1.00 0.00 N ATOM 482 CA LYS A 30 8.166 4.699 -2.048 1.00 0.00 C ATOM 483 C LYS A 30 8.791 5.251 -0.751 1.00 0.00 C ATOM 484 O LYS A 30 9.609 4.592 -0.117 1.00 0.00 O ATOM 485 CB LYS A 30 8.881 5.305 -3.275 1.00 0.00 C ATOM 486 CG LYS A 30 10.309 4.799 -3.554 1.00 0.00 C ATOM 487 CD LYS A 30 11.455 5.485 -2.792 1.00 0.00 C ATOM 488 CE LYS A 30 11.476 7.007 -2.982 1.00 0.00 C ATOM 489 NZ LYS A 30 12.762 7.579 -2.541 1.00 0.00 N ATOM 0 H LYS A 30 6.438 5.533 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 30 8.287 3.616 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.271 5.110 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.921 6.387 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.341 3.734 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.502 4.903 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.364 5.258 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.406 5.070 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.308 7.248 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.661 7.459 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.769 8.602 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.885 7.412 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.540 7.127 -3.062 1.00 0.00 H new ATOM 503 N HIS A 31 8.321 6.424 -0.330 1.00 0.00 N ATOM 504 CA HIS A 31 8.786 7.068 0.897 1.00 0.00 C ATOM 505 C HIS A 31 8.106 6.467 2.157 1.00 0.00 C ATOM 506 O HIS A 31 8.637 6.582 3.258 1.00 0.00 O ATOM 507 CB HIS A 31 8.528 8.577 0.827 1.00 0.00 C ATOM 508 CG HIS A 31 9.558 9.276 -0.030 1.00 0.00 C ATOM 509 ND1 HIS A 31 10.924 9.122 0.079 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.334 10.232 -0.986 1.00 0.00 C ATOM 511 CE1 HIS A 31 11.510 9.976 -0.769 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.585 10.661 -1.441 1.00 0.00 N ATOM 0 H HIS A 31 7.607 6.954 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 31 9.857 6.886 0.982 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.532 8.759 0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.544 8.997 1.833 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.405 8.470 0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.372 10.587 -1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.577 10.093 -0.891 1.00 0.00 H new ATOM 520 N THR A 32 6.941 5.806 1.987 1.00 0.00 N ATOM 521 CA THR A 32 6.312 5.125 3.143 1.00 0.00 C ATOM 522 C THR A 32 7.087 3.842 3.483 1.00 0.00 C ATOM 523 O THR A 32 7.253 3.501 4.651 1.00 0.00 O ATOM 524 CB THR A 32 4.841 4.748 2.853 1.00 0.00 C ATOM 525 OG1 THR A 32 4.690 3.768 1.841 1.00 0.00 O ATOM 526 CG2 THR A 32 3.940 5.938 2.529 1.00 0.00 C ATOM 0 H THR A 32 6.435 5.729 1.105 1.00 0.00 H new ATOM 0 HA THR A 32 6.338 5.821 3.982 1.00 0.00 H new ATOM 0 HB THR A 32 4.514 4.323 3.802 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.523 3.694 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.926 5.586 2.339 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.932 6.628 3.372 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.318 6.450 1.644 1.00 0.00 H new ATOM 592 N TYR A 37 7.705 -1.124 9.501 1.00 0.00 N ATOM 593 CA TYR A 37 7.346 -1.579 10.868 1.00 0.00 C ATOM 594 C TYR A 37 7.668 -3.075 11.071 1.00 0.00 C ATOM 595 O TYR A 37 7.030 -3.940 10.473 1.00 0.00 O ATOM 596 CB TYR A 37 5.846 -1.347 11.123 1.00 0.00 C ATOM 597 CG TYR A 37 5.366 0.021 10.747 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.710 1.117 11.558 1.00 0.00 C ATOM 599 CD2 TYR A 37 4.763 0.201 9.493 1.00 0.00 C ATOM 600 CE1 TYR A 37 5.593 2.417 11.044 1.00 0.00 C ATOM 601 CE2 TYR A 37 4.644 1.502 8.977 1.00 0.00 C ATOM 602 CZ TYR A 37 5.121 2.596 9.731 1.00 0.00 C ATOM 603 OH TYR A 37 5.356 3.774 9.109 1.00 0.00 O ATOM 0 HA TYR A 37 7.940 -0.999 11.574 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.275 -2.087 10.563 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.638 -1.516 12.180 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.061 0.959 12.567 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.396 -0.647 8.934 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.862 3.270 11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.191 1.664 8.010 1.00 0.00 H new ATOM 0 HH TYR A 37 4.972 3.750 8.208 1.00 0.00 H new ATOM 613 N GLN A 38 8.630 -3.362 11.958 1.00 0.00 N ATOM 614 CA GLN A 38 8.949 -4.745 12.353 1.00 0.00 C ATOM 615 C GLN A 38 8.085 -5.187 13.544 1.00 0.00 C ATOM 616 O GLN A 38 7.910 -4.437 14.506 1.00 0.00 O ATOM 617 CB GLN A 38 10.439 -4.838 12.738 1.00 0.00 C ATOM 618 CG GLN A 38 10.958 -6.270 12.960 1.00 0.00 C ATOM 619 CD GLN A 38 12.464 -6.282 13.224 1.00 0.00 C ATOM 620 OE1 GLN A 38 13.260 -5.767 12.448 1.00 0.00 O ATOM 621 NE2 GLN A 38 12.933 -6.853 14.313 1.00 0.00 N ATOM 0 H GLN A 38 9.203 -2.655 12.418 1.00 0.00 H new ATOM 0 HA GLN A 38 8.740 -5.403 11.510 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.033 -4.368 11.954 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.601 -4.262 13.649 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.435 -6.722 13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.736 -6.879 12.084 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.293 -7.289 14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.937 -6.859 14.494 1.00 0.00 H new ATOM 630 N CYS A 39 7.562 -6.417 13.470 1.00 0.00 N ATOM 631 CA CYS A 39 6.767 -6.993 14.560 1.00 0.00 C ATOM 632 C CYS A 39 7.603 -7.086 15.854 1.00 0.00 C ATOM 633 O CYS A 39 8.750 -7.540 15.836 1.00 0.00 O ATOM 634 CB CYS A 39 6.268 -8.383 14.167 1.00 0.00 C ATOM 635 SG CYS A 39 5.211 -8.987 15.513 1.00 0.00 S ATOM 0 H CYS A 39 7.676 -7.033 12.665 1.00 0.00 H new ATOM 0 HA CYS A 39 5.912 -6.342 14.743 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.710 -8.339 13.232 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.107 -9.060 14.006 1.00 0.00 H new ATOM 0 HG CYS A 39 4.894 -7.997 16.294 1.00 0.00 H new ATOM 731 N ARG A 46 9.307 -10.224 11.881 1.00 0.00 N ATOM 732 CA ARG A 46 9.141 -9.946 10.441 1.00 0.00 C ATOM 733 C ARG A 46 8.827 -8.465 10.220 1.00 0.00 C ATOM 734 O ARG A 46 8.348 -7.779 11.125 1.00 0.00 O ATOM 735 CB ARG A 46 8.006 -10.811 9.852 1.00 0.00 C ATOM 736 CG ARG A 46 8.511 -12.135 9.245 1.00 0.00 C ATOM 737 CD ARG A 46 9.065 -13.141 10.262 1.00 0.00 C ATOM 738 NE ARG A 46 8.022 -13.532 11.214 1.00 0.00 N ATOM 739 CZ ARG A 46 7.174 -14.546 11.169 1.00 0.00 C ATOM 740 NH1 ARG A 46 7.249 -15.505 10.269 1.00 0.00 N ATOM 741 NH2 ARG A 46 6.204 -14.577 12.050 1.00 0.00 N ATOM 0 HA ARG A 46 10.074 -10.193 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.280 -11.030 10.635 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.484 -10.241 9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.692 -12.604 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.290 -11.910 8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.442 -14.022 9.743 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.907 -12.701 10.796 1.00 0.00 H new ATOM 0 HE ARG A 46 7.937 -12.932 12.035 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.986 -15.487 9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.570 -16.266 10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.120 -13.833 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.533 -15.345 12.043 1.00 0.00 H new ATOM 755 N ARG A 47 9.116 -7.973 9.009 1.00 0.00 N ATOM 756 CA ARG A 47 8.956 -6.549 8.684 1.00 0.00 C ATOM 757 C ARG A 47 7.811 -6.338 7.701 1.00 0.00 C ATOM 758 O ARG A 47 7.610 -7.132 6.785 1.00 0.00 O ATOM 759 CB ARG A 47 10.261 -6.000 8.081 1.00 0.00 C ATOM 760 CG ARG A 47 11.374 -5.973 9.130 1.00 0.00 C ATOM 761 CD ARG A 47 12.656 -5.315 8.616 1.00 0.00 C ATOM 762 NE ARG A 47 13.605 -5.199 9.725 1.00 0.00 N ATOM 763 CZ ARG A 47 14.841 -4.729 9.731 1.00 0.00 C ATOM 764 NH1 ARG A 47 15.440 -4.277 8.651 1.00 0.00 N ATOM 765 NH2 ARG A 47 15.488 -4.718 10.870 1.00 0.00 N ATOM 0 H ARG A 47 9.463 -8.541 8.236 1.00 0.00 H new ATOM 0 HA ARG A 47 8.724 -6.014 9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.565 -6.619 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.094 -4.994 7.695 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.024 -5.436 10.011 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.595 -6.993 9.445 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.088 -5.909 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.436 -4.330 8.204 1.00 0.00 H new ATOM 0 HE ARG A 47 13.262 -5.530 10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.949 -4.279 7.757 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.395 -3.924 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.037 -5.065 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.443 -4.362 10.911 1.00 0.00 H new ATOM 779 N PHE A 48 7.101 -5.224 7.875 1.00 0.00 N ATOM 780 CA PHE A 48 6.004 -4.844 6.995 1.00 0.00 C ATOM 781 C PHE A 48 6.180 -3.402 6.540 1.00 0.00 C ATOM 782 O PHE A 48 6.589 -2.548 7.316 1.00 0.00 O ATOM 783 CB PHE A 48 4.674 -4.993 7.741 1.00 0.00 C ATOM 784 CG PHE A 48 4.415 -6.432 8.142 1.00 0.00 C ATOM 785 CD1 PHE A 48 3.727 -7.289 7.264 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.972 -6.950 9.328 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.627 -8.658 7.556 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.874 -8.321 9.623 1.00 0.00 C ATOM 789 CZ PHE A 48 4.235 -9.178 8.711 1.00 0.00 C ATOM 0 H PHE A 48 7.273 -4.561 8.631 1.00 0.00 H new ATOM 0 HA PHE A 48 6.003 -5.495 6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.683 -4.363 8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.860 -4.639 7.108 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.276 -6.894 6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.478 -6.289 10.016 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.082 -9.313 6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.286 -8.712 10.542 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.211 -10.241 8.899 1.00 0.00 H new ATOM 799 N SER A 49 5.894 -3.138 5.269 1.00 0.00 N ATOM 800 CA SER A 49 6.130 -1.811 4.688 1.00 0.00 C ATOM 801 C SER A 49 4.886 -0.908 4.819 1.00 0.00 C ATOM 802 O SER A 49 4.849 0.187 4.259 1.00 0.00 O ATOM 803 CB SER A 49 6.512 -1.955 3.209 1.00 0.00 C ATOM 804 OG SER A 49 5.536 -2.727 2.529 1.00 0.00 O ATOM 0 H SER A 49 5.500 -3.819 4.620 1.00 0.00 H new ATOM 0 HA SER A 49 6.946 -1.342 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.594 -0.970 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.489 -2.430 3.122 1.00 0.00 H new ATOM 0 HG SER A 49 5.786 -2.813 1.585 1.00 0.00 H new ATOM 810 N ARG A 50 3.893 -1.362 5.608 1.00 0.00 N ATOM 811 CA ARG A 50 2.726 -0.537 5.956 1.00 0.00 C ATOM 812 C ARG A 50 2.204 -0.913 7.346 1.00 0.00 C ATOM 813 O ARG A 50 2.218 -2.090 7.732 1.00 0.00 O ATOM 814 CB ARG A 50 1.605 -0.728 4.920 1.00 0.00 C ATOM 815 CG ARG A 50 1.879 -0.153 3.523 1.00 0.00 C ATOM 816 CD ARG A 50 0.597 -0.042 2.683 1.00 0.00 C ATOM 817 NE ARG A 50 -0.051 -1.347 2.464 1.00 0.00 N ATOM 818 CZ ARG A 50 0.097 -2.149 1.414 1.00 0.00 C ATOM 819 NH1 ARG A 50 0.998 -1.929 0.488 1.00 0.00 N ATOM 820 NH2 ARG A 50 -0.605 -3.245 1.336 1.00 0.00 N ATOM 0 H ARG A 50 3.878 -2.297 6.015 1.00 0.00 H new ATOM 0 HA ARG A 50 3.036 0.508 5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.407 -1.795 4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.695 -0.270 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.335 0.832 3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.598 -0.788 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.103 0.628 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.836 0.407 1.719 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.682 -1.670 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.615 -1.120 0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.082 -2.567 -0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.263 -3.483 2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.496 -3.864 0.533 1.00 0.00 H new ATOM 834 N SER A 51 1.716 0.089 8.081 1.00 0.00 N ATOM 835 CA SER A 51 1.176 -0.125 9.426 1.00 0.00 C ATOM 836 C SER A 51 0.001 -1.109 9.389 1.00 0.00 C ATOM 837 O SER A 51 -0.078 -2.018 10.211 1.00 0.00 O ATOM 838 CB SER A 51 0.716 1.211 10.022 1.00 0.00 C ATOM 839 OG SER A 51 1.710 2.204 9.878 1.00 0.00 O ATOM 0 H SER A 51 1.684 1.059 7.767 1.00 0.00 H new ATOM 0 HA SER A 51 1.963 -0.548 10.050 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.200 1.536 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.480 1.079 11.078 1.00 0.00 H new ATOM 0 HG SER A 51 2.572 1.779 9.687 1.00 0.00 H new ATOM 845 N ASP A 52 -0.905 -0.929 8.412 1.00 0.00 N ATOM 846 CA ASP A 52 -2.075 -1.807 8.264 1.00 0.00 C ATOM 847 C ASP A 52 -1.649 -3.261 8.005 1.00 0.00 C ATOM 848 O ASP A 52 -2.317 -4.190 8.439 1.00 0.00 O ATOM 849 CB ASP A 52 -2.964 -1.319 7.107 1.00 0.00 C ATOM 850 CG ASP A 52 -2.495 -1.747 5.708 1.00 0.00 C ATOM 851 OD1 ASP A 52 -2.886 -2.843 5.244 1.00 0.00 O ATOM 852 OD2 ASP A 52 -1.689 -0.998 5.119 1.00 0.00 O ATOM 0 H ASP A 52 -0.848 -0.185 7.716 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.638 -1.771 9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.977 -1.690 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.014 -0.231 7.141 1.00 0.00 H new ATOM 857 N GLN A 53 -0.533 -3.446 7.286 1.00 0.00 N ATOM 858 CA GLN A 53 -0.041 -4.782 6.958 1.00 0.00 C ATOM 859 C GLN A 53 0.537 -5.462 8.195 1.00 0.00 C ATOM 860 O GLN A 53 0.230 -6.621 8.466 1.00 0.00 O ATOM 861 CB GLN A 53 1.026 -4.700 5.857 1.00 0.00 C ATOM 862 CG GLN A 53 0.377 -4.340 4.513 1.00 0.00 C ATOM 863 CD GLN A 53 -0.615 -5.403 4.060 1.00 0.00 C ATOM 864 OE1 GLN A 53 -0.243 -6.515 3.718 1.00 0.00 O ATOM 865 NE2 GLN A 53 -1.908 -5.134 4.076 1.00 0.00 N ATOM 0 H GLN A 53 0.042 -2.686 6.923 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.880 -5.376 6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.773 -3.951 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.546 -5.654 5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.133 -3.381 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.152 -4.220 3.756 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.233 -4.210 4.359 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.581 -5.851 3.805 1.00 0.00 H new ATOM 874 N LEU A 54 1.292 -4.702 9.005 1.00 0.00 N ATOM 875 CA LEU A 54 1.743 -5.193 10.313 1.00 0.00 C ATOM 876 C LEU A 54 0.526 -5.517 11.214 1.00 0.00 C ATOM 877 O LEU A 54 0.471 -6.578 11.828 1.00 0.00 O ATOM 878 CB LEU A 54 2.646 -4.131 10.997 1.00 0.00 C ATOM 879 CG LEU A 54 3.177 -4.528 12.396 1.00 0.00 C ATOM 880 CD1 LEU A 54 4.037 -5.793 12.414 1.00 0.00 C ATOM 881 CD2 LEU A 54 4.068 -3.429 12.980 1.00 0.00 C ATOM 0 H LEU A 54 1.599 -3.756 8.779 1.00 0.00 H new ATOM 0 HA LEU A 54 2.320 -6.106 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.496 -3.926 10.347 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.083 -3.202 11.089 1.00 0.00 H new ATOM 0 HG LEU A 54 2.269 -4.695 12.975 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.365 -5.995 13.434 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.452 -6.636 12.047 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.908 -5.650 11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.427 -3.735 13.963 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.919 -3.261 12.320 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.494 -2.507 13.074 1.00 0.00 H new ATOM 893 N LYS A 55 -0.467 -4.603 11.244 1.00 0.00 N ATOM 894 CA LYS A 55 -1.705 -4.801 12.036 1.00 0.00 C ATOM 895 C LYS A 55 -2.469 -6.057 11.571 1.00 0.00 C ATOM 896 O LYS A 55 -2.907 -6.861 12.388 1.00 0.00 O ATOM 897 CB LYS A 55 -2.612 -3.561 11.904 1.00 0.00 C ATOM 898 CG LYS A 55 -3.809 -3.588 12.871 1.00 0.00 C ATOM 899 CD LYS A 55 -4.839 -2.482 12.586 1.00 0.00 C ATOM 900 CE LYS A 55 -4.280 -1.069 12.791 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.333 -0.052 12.587 1.00 0.00 N ATOM 0 H LYS A 55 -0.438 -3.722 10.731 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.423 -4.940 13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.021 -2.664 12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.980 -3.494 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.300 -4.559 12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.445 -3.483 13.893 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.194 -2.580 11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.702 -2.622 13.236 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.870 -0.978 13.797 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.459 -0.894 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.932 0.897 12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.705 -0.127 11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.104 -0.209 13.268 1.00 0.00 H new ATOM 915 N ARG A 56 -2.597 -6.227 10.250 1.00 0.00 N ATOM 916 CA ARG A 56 -3.204 -7.435 9.677 1.00 0.00 C ATOM 917 C ARG A 56 -2.423 -8.678 10.111 1.00 0.00 C ATOM 918 O ARG A 56 -2.999 -9.654 10.579 1.00 0.00 O ATOM 919 CB ARG A 56 -3.214 -7.328 8.138 1.00 0.00 C ATOM 920 CG ARG A 56 -4.008 -8.427 7.416 1.00 0.00 C ATOM 921 CD ARG A 56 -3.873 -8.274 5.892 1.00 0.00 C ATOM 922 NE ARG A 56 -2.564 -8.758 5.426 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.177 -9.021 4.184 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.934 -8.813 3.124 1.00 0.00 N ATOM 925 NH2 ARG A 56 -0.991 -9.541 3.995 1.00 0.00 N ATOM 0 H ARG A 56 -2.289 -5.544 9.558 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.228 -7.524 10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.628 -6.359 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.185 -7.350 7.781 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.645 -9.408 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.059 -8.372 7.702 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.668 -8.830 5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.997 -7.227 5.616 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.863 -8.911 6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.873 -8.430 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.581 -9.035 2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.386 -9.735 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.671 -9.752 3.050 1.00 0.00 H new ATOM 939 N HIS A 57 -1.098 -8.601 10.007 1.00 0.00 N ATOM 940 CA HIS A 57 -0.219 -9.699 10.391 1.00 0.00 C ATOM 941 C HIS A 57 -0.370 -10.047 11.912 1.00 0.00 C ATOM 942 O HIS A 57 -0.397 -11.220 12.280 1.00 0.00 O ATOM 943 CB HIS A 57 1.230 -9.315 10.071 1.00 0.00 C ATOM 944 CG HIS A 57 2.247 -9.921 10.974 1.00 0.00 C ATOM 945 ND1 HIS A 57 2.765 -11.197 10.941 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.741 -9.276 12.062 1.00 0.00 C ATOM 947 CE1 HIS A 57 3.557 -11.312 12.022 1.00 0.00 C ATOM 948 NE2 HIS A 57 3.560 -10.167 12.719 1.00 0.00 N ATOM 0 H HIS A 57 -0.607 -7.779 9.656 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.499 -10.587 9.825 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.452 -9.610 9.046 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.323 -8.230 10.117 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.532 -8.258 12.356 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.111 -12.199 12.290 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.076 -9.988 13.581 1.00 0.00 H new ATOM 956 N GLN A 58 -0.554 -9.019 12.761 1.00 0.00 N ATOM 957 CA GLN A 58 -0.774 -9.228 14.221 1.00 0.00 C ATOM 958 C GLN A 58 -1.937 -10.213 14.478 1.00 0.00 C ATOM 959 O GLN A 58 -1.985 -10.862 15.526 1.00 0.00 O ATOM 960 CB GLN A 58 -1.052 -7.887 14.934 1.00 0.00 C ATOM 961 CG GLN A 58 0.195 -7.007 15.163 1.00 0.00 C ATOM 962 CD GLN A 58 1.391 -7.774 15.731 1.00 0.00 C ATOM 963 OE1 GLN A 58 1.291 -8.433 16.756 1.00 0.00 O ATOM 964 NE2 GLN A 58 2.530 -7.714 15.067 1.00 0.00 N ATOM 0 H GLN A 58 -0.556 -8.040 12.473 1.00 0.00 H new ATOM 0 HA GLN A 58 0.139 -9.660 14.629 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.776 -7.322 14.346 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.516 -8.093 15.898 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.484 -6.548 14.217 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.063 -6.196 15.845 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.594 -7.159 14.214 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.346 -8.223 15.407 1.00 0.00 H new ATOM 973 N ARG A 59 -2.895 -10.291 13.535 1.00 0.00 N ATOM 974 CA ARG A 59 -4.070 -11.168 13.694 1.00 0.00 C ATOM 975 C ARG A 59 -3.638 -12.628 13.967 1.00 0.00 C ATOM 976 O ARG A 59 -4.305 -13.340 14.712 1.00 0.00 O ATOM 977 CB ARG A 59 -4.952 -11.112 12.440 1.00 0.00 C ATOM 978 CG ARG A 59 -5.563 -9.706 12.312 1.00 0.00 C ATOM 979 CD ARG A 59 -6.472 -9.554 11.095 1.00 0.00 C ATOM 980 NE ARG A 59 -6.923 -8.158 11.002 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.311 -7.521 9.908 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.488 -8.129 8.758 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.527 -6.227 9.949 1.00 0.00 N ATOM 0 H ARG A 59 -2.879 -9.762 12.663 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.643 -10.811 14.550 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.361 -11.346 11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.742 -11.860 12.503 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.133 -9.481 13.213 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.760 -8.972 12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.937 -9.837 10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.330 -10.221 11.181 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.939 -7.624 11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.326 -9.133 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.788 -7.597 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.396 -5.715 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.826 -5.733 9.108 1.00 0.00 H new ATOM 997 N ARG A 60 -2.497 -13.054 13.384 1.00 0.00 N ATOM 998 CA ARG A 60 -1.972 -14.427 13.607 1.00 0.00 C ATOM 999 C ARG A 60 -1.495 -14.608 15.062 1.00 0.00 C ATOM 1000 O ARG A 60 -1.589 -15.697 15.618 1.00 0.00 O ATOM 1001 CB ARG A 60 -0.797 -14.731 12.645 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.800 -14.233 11.201 1.00 0.00 C ATOM 1003 CD ARG A 60 -2.159 -14.161 10.507 1.00 0.00 C ATOM 1004 NE ARG A 60 -2.087 -13.254 9.362 1.00 0.00 N ATOM 1005 CZ ARG A 60 -2.771 -13.309 8.235 1.00 0.00 C ATOM 1006 NH1 ARG A 60 -3.837 -14.043 8.039 1.00 0.00 N ATOM 1007 NH2 ARG A 60 -2.433 -12.495 7.261 1.00 0.00 N ATOM 0 H ARG A 60 -1.926 -12.480 12.764 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.788 -15.123 13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.106 -14.339 13.114 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.691 -15.815 12.606 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.354 -13.238 11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.152 -14.884 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.461 -15.155 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.917 -13.815 11.209 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.425 -12.482 9.445 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.197 -14.631 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.308 -14.027 7.134 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.659 -11.842 7.387 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.944 -12.516 6.379 1.00 0.00 H new ATOM 1021 N HIS A 61 -0.992 -13.522 15.671 1.00 0.00 N ATOM 1022 CA HIS A 61 -0.487 -13.562 17.057 1.00 0.00 C ATOM 1023 C HIS A 61 -1.619 -13.299 18.074 1.00 0.00 C ATOM 1024 O HIS A 61 -1.390 -13.312 19.281 1.00 0.00 O ATOM 1025 CB HIS A 61 0.619 -12.505 17.239 1.00 0.00 C ATOM 1026 CG HIS A 61 1.829 -12.702 16.361 1.00 0.00 C ATOM 1027 ND1 HIS A 61 2.397 -13.911 16.019 1.00 0.00 N ATOM 1028 CD2 HIS A 61 2.593 -11.708 15.808 1.00 0.00 C ATOM 1029 CE1 HIS A 61 3.477 -13.646 15.265 1.00 0.00 C ATOM 1030 NE2 HIS A 61 3.631 -12.326 15.113 1.00 0.00 N ATOM 0 H HIS A 61 -0.923 -12.606 15.228 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.084 -14.558 17.240 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.198 -11.520 17.038 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.939 -12.509 18.281 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.423 -10.645 15.894 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.130 -14.394 14.841 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.370 -11.859 14.587 1.00 0.00 H new ATOM 1038 N THR A 62 -2.833 -13.028 17.567 1.00 0.00 N ATOM 1039 CA THR A 62 -3.972 -12.636 18.421 1.00 0.00 C ATOM 1040 C THR A 62 -5.213 -13.523 18.152 1.00 0.00 C ATOM 1041 O THR A 62 -6.213 -13.422 18.856 1.00 0.00 O ATOM 1042 CB THR A 62 -4.347 -11.164 18.174 1.00 0.00 C ATOM 1043 OG1 THR A 62 -4.504 -10.936 16.805 1.00 0.00 O ATOM 1044 CG2 THR A 62 -3.237 -10.188 18.577 1.00 0.00 C ATOM 0 H THR A 62 -3.053 -13.072 16.572 1.00 0.00 H new ATOM 0 HA THR A 62 -3.661 -12.770 19.457 1.00 0.00 H new ATOM 0 HB THR A 62 -5.250 -10.999 18.761 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.624 -10.911 16.374 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.561 -9.166 18.379 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.021 -10.301 19.640 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.337 -10.402 18.000 1.00 0.00 H new ATOM 1052 N GLY A 63 -5.095 -14.448 17.177 1.00 0.00 N ATOM 1053 CA GLY A 63 -6.136 -15.473 16.950 1.00 0.00 C ATOM 1054 C GLY A 63 -7.502 -14.881 16.537 1.00 0.00 C ATOM 1055 O GLY A 63 -8.525 -15.559 16.627 1.00 0.00 O ATOM 0 H GLY A 63 -4.300 -14.507 16.541 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.796 -16.159 16.174 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.263 -16.059 17.860 1.00 0.00 H new ATOM 1059 N VAL A 64 -7.511 -13.615 16.098 1.00 0.00 N ATOM 1060 CA VAL A 64 -8.766 -12.906 15.790 1.00 0.00 C ATOM 1061 C VAL A 64 -9.152 -13.069 14.303 1.00 0.00 C ATOM 1062 O VAL A 64 -8.300 -13.001 13.414 1.00 0.00 O ATOM 1063 CB VAL A 64 -8.624 -11.407 16.139 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -7.657 -10.620 15.252 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -9.986 -10.699 16.145 1.00 0.00 C ATOM 0 H VAL A 64 -6.668 -13.060 15.948 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.560 -13.345 16.394 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.191 -11.414 17.139 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.628 -9.580 15.578 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.659 -11.052 15.329 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.994 -10.666 14.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.848 -9.647 16.394 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.443 -10.781 15.159 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.635 -11.165 16.886 1.00 0.00 H new ATOM 1075 N LYS A 65 -10.462 -13.236 14.052 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.011 -13.290 12.683 1.00 0.00 C ATOM 1077 C LYS A 65 -12.217 -12.337 12.567 1.00 0.00 C ATOM 1078 O LYS A 65 -13.341 -12.714 12.889 1.00 0.00 O ATOM 1079 CB LYS A 65 -11.450 -14.737 12.339 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.307 -15.768 12.324 1.00 0.00 C ATOM 1081 CD LYS A 65 -10.178 -16.512 13.661 1.00 0.00 C ATOM 1082 CE LYS A 65 -8.921 -17.383 13.680 1.00 0.00 C ATOM 1083 NZ LYS A 65 -8.755 -18.029 14.997 1.00 0.00 N ATOM 0 H LYS A 65 -11.166 -13.337 14.784 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.238 -12.980 11.980 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.200 -15.057 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.931 -14.734 11.361 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.481 -16.489 11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.368 -15.263 12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.140 -15.793 14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.059 -17.133 13.823 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.987 -18.143 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.046 -16.773 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.896 -18.616 14.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.670 -17.299 15.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.582 -18.627 15.197 1.00 0.00 H new ATOM 1097 N PRO A 66 -11.970 -11.052 12.214 1.00 0.00 N ATOM 1098 CA PRO A 66 -12.996 -10.005 12.282 1.00 0.00 C ATOM 1099 C PRO A 66 -14.020 -10.068 11.125 1.00 0.00 C ATOM 1100 O PRO A 66 -15.113 -9.517 11.238 1.00 0.00 O ATOM 1101 CB PRO A 66 -12.191 -8.700 12.222 1.00 0.00 C ATOM 1102 CG PRO A 66 -10.912 -9.059 11.469 1.00 0.00 C ATOM 1103 CD PRO A 66 -10.659 -10.500 11.898 1.00 0.00 C ATOM 0 HA PRO A 66 -13.602 -10.109 13.182 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.746 -7.917 11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.969 -8.327 13.222 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.041 -8.975 10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.084 -8.404 11.743 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.177 -11.067 11.102 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.998 -10.541 12.764 1.00 0.00 H new ATOM 1111 N PHE A 67 -13.669 -10.751 10.022 1.00 0.00 N ATOM 1112 CA PHE A 67 -14.586 -10.872 8.867 1.00 0.00 C ATOM 1113 C PHE A 67 -15.554 -12.050 9.074 1.00 0.00 C ATOM 1114 O PHE A 67 -15.159 -13.092 9.563 1.00 0.00 O ATOM 1115 CB PHE A 67 -13.777 -11.070 7.578 1.00 0.00 C ATOM 1116 CG PHE A 67 -12.863 -9.898 7.283 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.363 -8.752 6.630 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -11.534 -9.916 7.730 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -12.546 -7.622 6.458 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -10.712 -8.795 7.536 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.214 -7.645 6.905 1.00 0.00 C ATOM 0 H PHE A 67 -12.772 -11.222 9.902 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.170 -9.955 8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.182 -11.979 7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.461 -11.213 6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.378 -8.743 6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.143 -10.793 8.224 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -12.941 -6.736 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -9.687 -8.817 7.874 1.00 0.00 H new ATOM 0 HZ PHE A 67 -10.579 -6.783 6.764 1.00 0.00 H new ATOM 1131 N GLN A 68 -16.843 -11.838 8.770 1.00 0.00 N ATOM 1132 CA GLN A 68 -17.856 -12.919 8.856 1.00 0.00 C ATOM 1133 C GLN A 68 -18.587 -13.091 7.516 1.00 0.00 C ATOM 1134 O GLN A 68 -18.998 -12.105 6.900 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.871 -12.596 9.967 1.00 0.00 C ATOM 1136 CG GLN A 68 -19.828 -13.761 10.270 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.685 -13.498 11.505 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.176 -13.232 12.584 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -22.000 -13.574 11.424 1.00 0.00 N ATOM 0 H GLN A 68 -17.214 -10.938 8.464 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.345 -13.852 9.091 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.332 -12.331 10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.454 -11.722 9.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.476 -13.930 9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.251 -14.674 10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.444 -13.795 10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.572 -13.412 12.253 1.00 0.00 H new ATOM 1148 N CYS A 69 -18.844 -14.351 7.129 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.629 -14.649 5.926 1.00 0.00 C ATOM 1150 C CYS A 69 -21.071 -14.145 6.089 1.00 0.00 C ATOM 1151 O CYS A 69 -21.623 -14.142 7.192 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.637 -16.161 5.650 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.618 -16.516 4.145 1.00 0.00 S ATOM 0 H CYS A 69 -18.519 -15.176 7.633 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.167 -14.137 5.082 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.616 -16.521 5.522 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.059 -16.693 6.503 1.00 0.00 H new ATOM 0 HG CYS A 69 -19.980 -17.372 3.403 1.00 0.00 H new ATOM 1158 N LYS A 70 -21.678 -13.745 4.972 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.073 -13.279 4.973 1.00 0.00 C ATOM 1160 C LYS A 70 -24.044 -14.471 4.850 1.00 0.00 C ATOM 1161 O LYS A 70 -25.261 -14.293 4.874 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.297 -12.301 3.801 1.00 0.00 C ATOM 1163 CG LYS A 70 -22.676 -10.902 3.995 1.00 0.00 C ATOM 1164 CD LYS A 70 -21.138 -10.872 4.084 1.00 0.00 C ATOM 1165 CE LYS A 70 -20.573 -9.448 4.064 1.00 0.00 C ATOM 1166 NZ LYS A 70 -20.712 -8.815 2.737 1.00 0.00 N ATOM 0 H LYS A 70 -21.231 -13.733 4.055 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.268 -12.768 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -22.885 -12.743 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.369 -12.188 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -22.988 -10.266 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -23.085 -10.464 4.905 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.821 -11.372 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.719 -11.437 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.089 -8.843 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.520 -9.472 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.185 -7.918 2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.332 -9.451 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.717 -8.629 2.545 1.00 0.00 H new ATOM 1180 N THR A 71 -23.485 -15.681 4.708 1.00 0.00 N ATOM 1181 CA THR A 71 -24.272 -16.884 4.415 1.00 0.00 C ATOM 1182 C THR A 71 -24.141 -17.909 5.555 1.00 0.00 C ATOM 1183 O THR A 71 -25.037 -18.026 6.393 1.00 0.00 O ATOM 1184 CB THR A 71 -23.804 -17.536 3.079 1.00 0.00 C ATOM 1185 OG1 THR A 71 -22.895 -16.706 2.380 1.00 0.00 O ATOM 1186 CG2 THR A 71 -24.963 -17.798 2.126 1.00 0.00 C ATOM 0 H THR A 71 -22.483 -15.851 4.792 1.00 0.00 H new ATOM 0 HA THR A 71 -25.316 -16.584 4.321 1.00 0.00 H new ATOM 0 HB THR A 71 -23.332 -18.473 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 71 -21.994 -16.824 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.585 -18.253 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.677 -18.473 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.457 -16.856 1.887 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.995 -18.612 5.609 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.757 -19.645 6.625 1.00 0.00 C ATOM 1196 C CYS A 72 -22.187 -19.036 7.926 1.00 0.00 C ATOM 1197 O CYS A 72 -21.941 -19.752 8.899 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.776 -20.682 6.074 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.228 -19.864 5.624 1.00 0.00 S ATOM 0 H CYS A 72 -22.220 -18.481 4.959 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.711 -20.117 6.861 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.589 -21.454 6.820 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.205 -21.178 5.203 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.486 -18.697 5.113 1.00 0.00 H new ATOM 1204 N GLN A 73 -22.023 -17.699 7.939 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.510 -16.972 9.116 1.00 0.00 C ATOM 1206 C GLN A 73 -20.096 -17.470 9.520 1.00 0.00 C ATOM 1207 O GLN A 73 -19.657 -17.258 10.653 1.00 0.00 O ATOM 1208 CB GLN A 73 -22.488 -17.127 10.306 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.968 -16.897 9.947 1.00 0.00 C ATOM 1210 CD GLN A 73 -24.204 -15.608 9.162 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -23.862 -14.519 9.607 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -24.781 -15.690 7.975 1.00 0.00 N ATOM 0 H GLN A 73 -22.240 -17.098 7.144 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.431 -15.918 8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -22.379 -18.129 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.203 -16.424 11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.329 -17.743 9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -24.557 -16.870 10.864 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.065 -16.598 7.607 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.943 -14.845 7.427 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.369 -18.071 8.560 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.992 -18.503 8.789 1.00 0.00 C ATOM 1223 C ARG A 74 -17.067 -17.298 8.863 1.00 0.00 C ATOM 1224 O ARG A 74 -17.189 -16.365 8.070 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.540 -19.442 7.658 1.00 0.00 C ATOM 1226 CG ARG A 74 -16.226 -20.144 8.017 1.00 0.00 C ATOM 1227 CD ARG A 74 -15.856 -21.214 6.981 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.759 -22.079 7.453 1.00 0.00 N ATOM 1229 CZ ARG A 74 -13.509 -21.720 7.724 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -13.080 -20.490 7.568 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.652 -22.614 8.161 1.00 0.00 N ATOM 0 H ARG A 74 -19.719 -18.265 7.622 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.947 -19.039 9.737 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.313 -20.186 7.468 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.412 -18.873 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.425 -19.407 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.316 -20.605 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.732 -21.825 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -15.562 -20.731 6.049 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.986 -23.065 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -13.715 -19.768 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.112 -20.256 7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.947 -23.582 8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.692 -22.341 8.370 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.180 -17.291 9.860 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.327 -16.134 10.113 1.00 0.00 C ATOM 1247 C LYS A 75 -13.963 -16.294 9.434 1.00 0.00 C ATOM 1248 O LYS A 75 -13.410 -17.392 9.370 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.140 -15.935 11.626 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.500 -15.764 12.332 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.439 -14.889 13.597 1.00 0.00 C ATOM 1252 CE LYS A 75 -16.954 -13.462 13.353 1.00 0.00 C ATOM 1253 NZ LYS A 75 -16.114 -12.707 12.402 1.00 0.00 N ATOM 0 H LYS A 75 -16.036 -18.071 10.501 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.816 -15.255 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.613 -16.791 12.047 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.519 -15.058 11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.210 -15.324 11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.885 -16.748 12.600 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.030 -15.355 14.386 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.410 -14.844 13.954 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.974 -13.509 12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.992 -12.927 14.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.446 -11.723 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.125 -12.723 12.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.179 -13.143 11.460 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.420 -15.171 8.962 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.108 -15.134 8.314 1.00 0.00 C ATOM 1269 C PHE A 76 -11.275 -13.950 8.843 1.00 0.00 C ATOM 1270 O PHE A 76 -11.813 -13.011 9.442 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.287 -15.004 6.786 1.00 0.00 C ATOM 1272 CG PHE A 76 -13.083 -16.128 6.143 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.455 -17.349 5.826 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.462 -15.966 5.892 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -13.201 -18.407 5.273 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -15.210 -17.027 5.350 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.580 -18.247 5.049 1.00 0.00 C ATOM 0 H PHE A 76 -13.877 -14.261 9.018 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.580 -16.060 8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.782 -14.057 6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.302 -14.962 6.321 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.398 -17.474 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.944 -15.026 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.716 -19.339 5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -16.267 -16.904 5.165 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.157 -19.065 4.644 1.00 0.00 H new ATOM 1287 N SER A 77 -9.953 -14.020 8.643 1.00 0.00 N ATOM 1288 CA SER A 77 -9.029 -13.016 9.194 1.00 0.00 C ATOM 1289 C SER A 77 -8.643 -11.958 8.142 1.00 0.00 C ATOM 1290 O SER A 77 -8.048 -10.930 8.479 1.00 0.00 O ATOM 1291 CB SER A 77 -7.760 -13.710 9.708 1.00 0.00 C ATOM 1292 OG SER A 77 -7.201 -14.498 8.670 1.00 0.00 O ATOM 0 H SER A 77 -9.498 -14.758 8.106 1.00 0.00 H new ATOM 0 HA SER A 77 -9.538 -12.508 10.013 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.037 -12.967 10.045 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.998 -14.337 10.568 1.00 0.00 H new ATOM 0 HG SER A 77 -6.390 -14.941 8.996 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.018 -12.201 6.874 1.00 0.00 N ATOM 1299 CA ARG A 78 -8.744 -11.256 5.781 1.00 0.00 C ATOM 1300 C ARG A 78 -9.960 -11.123 4.859 1.00 0.00 C ATOM 1301 O ARG A 78 -10.581 -12.123 4.485 1.00 0.00 O ATOM 1302 CB ARG A 78 -7.521 -11.732 4.963 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.214 -11.727 5.780 1.00 0.00 C ATOM 1304 CD ARG A 78 -4.960 -11.564 4.910 1.00 0.00 C ATOM 1305 NE ARG A 78 -4.609 -12.761 4.126 1.00 0.00 N ATOM 1306 CZ ARG A 78 -3.862 -12.752 3.023 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -3.324 -11.665 2.525 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -3.672 -13.832 2.326 1.00 0.00 N ATOM 0 H ARG A 78 -9.512 -13.045 6.582 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.530 -10.281 6.219 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.708 -12.740 4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.401 -11.089 4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.251 -10.917 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.140 -12.658 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.111 -10.728 4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.118 -11.304 5.551 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.963 -13.661 4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.469 -10.767 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.760 -11.718 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.099 -14.710 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.096 -13.801 1.485 1.00 0.00 H new ATOM 1322 N SER A 79 -10.249 -9.884 4.443 1.00 0.00 N ATOM 1323 CA SER A 79 -11.321 -9.612 3.474 1.00 0.00 C ATOM 1324 C SER A 79 -11.089 -10.392 2.179 1.00 0.00 C ATOM 1325 O SER A 79 -12.029 -10.875 1.566 1.00 0.00 O ATOM 1326 CB SER A 79 -11.379 -8.110 3.165 1.00 0.00 C ATOM 1327 OG SER A 79 -10.085 -7.625 2.840 1.00 0.00 O ATOM 0 H SER A 79 -9.755 -9.051 4.763 1.00 0.00 H new ATOM 0 HA SER A 79 -12.267 -9.931 3.911 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.062 -7.928 2.335 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.772 -7.569 4.026 1.00 0.00 H new ATOM 0 HG SER A 79 -10.135 -6.666 2.643 1.00 0.00 H new ATOM 1333 N ASP A 80 -9.823 -10.486 1.765 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.462 -11.200 0.537 1.00 0.00 C ATOM 1335 C ASP A 80 -9.916 -12.694 0.602 1.00 0.00 C ATOM 1336 O ASP A 80 -10.489 -13.217 -0.359 1.00 0.00 O ATOM 1337 CB ASP A 80 -7.944 -11.115 0.311 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.539 -11.755 -1.024 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -8.267 -11.517 -2.015 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.519 -12.482 -1.049 1.00 0.00 O ATOM 0 H ASP A 80 -9.031 -10.077 2.261 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.977 -10.728 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.631 -10.071 0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.425 -11.615 1.128 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.717 -13.343 1.769 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.204 -14.723 1.990 1.00 0.00 C ATOM 1347 C HIS A 81 -11.727 -14.762 2.020 1.00 0.00 C ATOM 1348 O HIS A 81 -12.332 -15.682 1.488 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.667 -15.277 3.319 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.205 -15.558 3.393 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.496 -15.732 4.546 1.00 0.00 N flip ATOM 1352 CD2 HIS A 81 -7.342 -15.691 2.345 1.00 0.00 C flip ATOM 1353 CE1 HIS A 81 -6.164 -15.871 4.212 1.00 0.00 C flip ATOM 1354 NE2 HIS A 81 -6.135 -15.923 2.874 1.00 0.00 N flip ATOM 0 H HIS A 81 -9.227 -12.938 2.567 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.844 -15.337 1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.916 -14.567 4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.201 -16.201 3.542 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.883 -15.755 5.490 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -7.585 -15.623 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.323 -15.926 4.887 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.346 -13.770 2.677 1.00 0.00 N ATOM 1363 CA LEU A 82 -13.806 -13.717 2.790 1.00 0.00 C ATOM 1364 C LEU A 82 -14.454 -13.547 1.404 1.00 0.00 C ATOM 1365 O LEU A 82 -15.388 -14.266 1.061 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.223 -12.558 3.712 1.00 0.00 C ATOM 1367 CG LEU A 82 -15.758 -12.508 3.876 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.156 -12.133 5.297 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.438 -11.492 2.943 1.00 0.00 C ATOM 0 H LEU A 82 -11.859 -12.999 3.135 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.152 -14.657 3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.753 -12.677 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.866 -11.614 3.300 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.092 -13.514 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.243 -12.107 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.759 -12.872 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -15.751 -11.151 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.515 -11.509 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.054 -10.493 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.228 -11.753 1.906 1.00 0.00 H new ATOM 1381 N LYS A 83 -13.931 -12.605 0.607 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.416 -12.379 -0.768 1.00 0.00 C ATOM 1383 C LYS A 83 -14.133 -13.603 -1.650 1.00 0.00 C ATOM 1384 O LYS A 83 -14.928 -13.945 -2.518 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.730 -11.135 -1.364 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.357 -10.723 -2.707 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.790 -9.393 -3.219 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.501 -9.002 -4.517 1.00 0.00 C ATOM 1389 NZ LYS A 83 -13.998 -7.722 -5.049 1.00 0.00 N ATOM 0 H LYS A 83 -13.171 -11.985 0.888 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.494 -12.218 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.804 -10.307 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.669 -11.339 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.176 -11.503 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.437 -10.637 -2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.926 -8.614 -2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.718 -9.485 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.359 -9.786 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.573 -8.925 -4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.502 -7.489 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.156 -6.969 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.980 -7.804 -5.245 1.00 0.00 H new ATOM 1403 N THR A 84 -13.011 -14.279 -1.392 1.00 0.00 N ATOM 1404 CA THR A 84 -12.677 -15.519 -2.096 1.00 0.00 C ATOM 1405 C THR A 84 -13.679 -16.631 -1.736 1.00 0.00 C ATOM 1406 O THR A 84 -14.350 -17.176 -2.614 1.00 0.00 O ATOM 1407 CB THR A 84 -11.258 -15.980 -1.720 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.352 -15.020 -2.216 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.783 -17.348 -2.186 1.00 0.00 C ATOM 0 H THR A 84 -12.319 -13.989 -0.701 1.00 0.00 H new ATOM 0 HA THR A 84 -12.725 -15.323 -3.167 1.00 0.00 H new ATOM 0 HB THR A 84 -11.297 -16.078 -0.635 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.085 -14.417 -1.491 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.764 -17.518 -1.837 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.438 -18.118 -1.780 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.805 -17.389 -3.275 1.00 0.00 H new ATOM 1417 N HIS A 85 -13.910 -16.817 -0.431 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.894 -17.782 0.061 1.00 0.00 C ATOM 1419 C HIS A 85 -16.306 -17.417 -0.422 1.00 0.00 C ATOM 1420 O HIS A 85 -17.091 -18.292 -0.770 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.862 -17.816 1.597 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.073 -18.479 2.190 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.371 -19.826 2.169 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.145 -17.812 2.717 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.623 -19.961 2.645 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.114 -18.765 2.999 1.00 0.00 N ATOM 0 H HIS A 85 -13.424 -16.307 0.306 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.640 -18.767 -0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -13.967 -18.344 1.926 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.789 -16.797 1.977 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -15.758 -20.578 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.222 -16.748 2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.155 -20.897 2.729 1.00 0.00 H new ATOM 1434 N THR A 86 -16.580 -16.114 -0.518 1.00 0.00 N ATOM 1435 CA THR A 86 -17.867 -15.608 -1.014 1.00 0.00 C ATOM 1436 C THR A 86 -18.192 -16.199 -2.395 1.00 0.00 C ATOM 1437 O THR A 86 -19.343 -16.569 -2.665 1.00 0.00 O ATOM 1438 CB THR A 86 -17.852 -14.070 -1.112 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.665 -13.517 0.170 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.121 -13.416 -1.640 1.00 0.00 C ATOM 0 H THR A 86 -15.921 -15.381 -0.256 1.00 0.00 H new ATOM 0 HA THR A 86 -18.634 -15.914 -0.303 1.00 0.00 H new ATOM 0 HB THR A 86 -17.048 -13.871 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.724 -13.606 0.431 1.00 0.00 H new ATOM 0 HG21 THR A 86 -18.990 -12.334 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.325 -13.778 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 86 -19.958 -13.666 -0.988 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.171 -16.297 -3.275 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.379 -16.810 -4.642 1.00 0.00 C ATOM 1450 C ARG A 87 -17.877 -18.271 -4.613 1.00 0.00 C ATOM 1451 O ARG A 87 -18.585 -18.701 -5.521 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.073 -16.717 -5.455 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.745 -15.244 -5.773 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.677 -15.065 -6.861 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.354 -15.558 -6.452 1.00 0.00 N ATOM 1456 CZ ARG A 87 -12.428 -14.946 -5.727 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -12.598 -13.755 -5.196 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -11.289 -15.562 -5.518 1.00 0.00 N ATOM 0 H ARG A 87 -16.209 -16.031 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.141 -16.194 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.254 -17.166 -4.893 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.172 -17.283 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.658 -14.738 -6.087 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.406 -14.752 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.992 -15.591 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.602 -14.009 -7.118 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.116 -16.498 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.477 -13.256 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.851 -13.330 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.132 -16.490 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.560 -15.113 -4.964 1.00 0.00 H new ATOM 1472 N THR A 88 -17.598 -18.985 -3.505 1.00 0.00 N ATOM 1473 CA THR A 88 -18.162 -20.336 -3.269 1.00 0.00 C ATOM 1474 C THR A 88 -19.694 -20.292 -3.253 1.00 0.00 C ATOM 1475 O THR A 88 -20.349 -21.111 -3.890 1.00 0.00 O ATOM 1476 CB THR A 88 -17.685 -20.910 -1.915 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.338 -20.610 -1.656 1.00 0.00 O ATOM 1478 CG2 THR A 88 -17.881 -22.414 -1.790 1.00 0.00 C ATOM 0 H THR A 88 -16.987 -18.653 -2.759 1.00 0.00 H new ATOM 0 HA THR A 88 -17.814 -20.972 -4.083 1.00 0.00 H new ATOM 0 HB THR A 88 -18.319 -20.420 -1.176 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.285 -19.879 -1.006 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.525 -22.748 -0.815 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.940 -22.653 -1.890 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.319 -22.921 -2.575 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.259 -19.311 -2.530 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.717 -19.161 -2.428 1.00 0.00 C ATOM 1488 C HIS A 89 -22.281 -18.443 -3.663 1.00 0.00 C ATOM 1489 O HIS A 89 -23.475 -18.515 -3.940 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.073 -18.365 -1.161 1.00 0.00 C ATOM 1491 CG HIS A 89 -21.831 -19.103 0.135 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.416 -20.293 0.515 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.088 -18.656 1.195 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -22.030 -20.550 1.779 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.231 -19.576 2.234 1.00 0.00 N ATOM 0 H HIS A 89 -19.728 -18.613 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.160 -20.155 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.492 -17.443 -1.152 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.124 -18.080 -1.210 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.497 -17.753 1.222 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -22.324 -21.420 2.347 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -20.809 -19.518 3.161 1.00 0.00 H new ATOM 1503 N THR A 90 -21.404 -17.749 -4.398 1.00 0.00 N ATOM 1504 CA THR A 90 -21.807 -16.976 -5.582 1.00 0.00 C ATOM 1505 C THR A 90 -21.695 -17.828 -6.870 1.00 0.00 C ATOM 1506 O THR A 90 -22.109 -17.395 -7.942 1.00 0.00 O ATOM 1507 CB THR A 90 -20.912 -15.727 -5.737 1.00 0.00 C ATOM 1508 OG1 THR A 90 -20.711 -15.094 -4.486 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.465 -14.636 -6.649 1.00 0.00 C ATOM 0 H THR A 90 -20.406 -17.706 -4.193 1.00 0.00 H new ATOM 0 HA THR A 90 -22.845 -16.676 -5.440 1.00 0.00 H new ATOM 0 HB THR A 90 -20.000 -16.130 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 90 -20.186 -15.681 -3.903 1.00 0.00 H new ATOM 0 HG21 THR A 90 -20.761 -13.804 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 90 -21.609 -15.038 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 90 -22.420 -14.285 -6.258 1.00 0.00 H new ATOM 1517 N GLY A 91 -21.145 -19.052 -6.740 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.935 -19.933 -7.905 1.00 0.00 C ATOM 1519 C GLY A 91 -20.057 -19.272 -8.991 1.00 0.00 C ATOM 1520 O GLY A 91 -20.159 -19.610 -10.169 1.00 0.00 O ATOM 0 H GLY A 91 -20.842 -19.449 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.465 -20.860 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.901 -20.200 -8.335 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.231 -18.302 -8.583 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.470 -17.480 -9.525 1.00 0.00 C ATOM 1526 C GLU A 92 -17.090 -18.096 -9.804 1.00 0.00 C ATOM 1527 O GLU A 92 -16.236 -18.147 -8.919 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.299 -16.062 -8.955 1.00 0.00 C ATOM 1529 CG GLU A 92 -17.815 -15.058 -10.008 1.00 0.00 C ATOM 1530 CD GLU A 92 -17.295 -13.783 -9.340 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -18.136 -13.030 -8.804 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -16.058 -13.597 -9.346 1.00 0.00 O ATOM 0 H GLU A 92 -19.074 -18.068 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 92 -19.022 -17.434 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -19.250 -15.722 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.587 -16.089 -8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -17.025 -15.507 -10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -18.632 -14.812 -10.686 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.862 -18.503 -11.065 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.553 -19.020 -11.501 1.00 0.00 C ATOM 1541 C LYS A 93 -15.045 -18.222 -12.723 1.00 0.00 C ATOM 1542 O LYS A 93 -15.278 -18.614 -13.868 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.672 -20.512 -11.867 1.00 0.00 C ATOM 1544 CG LYS A 93 -15.864 -21.452 -10.668 1.00 0.00 C ATOM 1545 CD LYS A 93 -16.256 -22.856 -11.158 1.00 0.00 C ATOM 1546 CE LYS A 93 -15.944 -23.955 -10.137 1.00 0.00 C ATOM 1547 NZ LYS A 93 -14.489 -24.178 -10.012 1.00 0.00 N ATOM 0 H LYS A 93 -17.568 -18.484 -11.801 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.842 -18.907 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.512 -20.639 -12.549 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.774 -20.813 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -14.944 -21.505 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.637 -21.059 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.322 -22.871 -11.385 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.729 -23.071 -12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.356 -23.679 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -16.431 -24.882 -10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.313 -25.152 -9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.034 -24.029 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.094 -23.510 -9.319 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.406 -17.052 -12.487 1.00 0.00 N ATOM 1562 CA PRO A 94 -13.992 -16.153 -13.557 1.00 0.00 C ATOM 1563 C PRO A 94 -12.643 -16.550 -14.189 1.00 0.00 C ATOM 1564 O PRO A 94 -12.316 -16.107 -15.288 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.883 -14.792 -12.860 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.448 -15.143 -11.437 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.127 -16.488 -11.172 1.00 0.00 C ATOM 0 HA PRO A 94 -14.698 -16.167 -14.387 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.155 -14.148 -13.353 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.835 -14.262 -12.868 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.364 -15.219 -11.357 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.768 -14.385 -10.722 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.480 -17.146 -10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -15.045 -16.358 -10.599 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.860 -17.386 -13.484 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.528 -17.784 -13.966 1.00 0.00 C ATOM 1577 C PHE A 95 -10.631 -18.991 -14.920 1.00 0.00 C ATOM 1578 O PHE A 95 -10.347 -20.124 -14.535 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.617 -18.128 -12.776 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.442 -17.005 -11.781 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.554 -15.946 -12.050 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.186 -17.012 -10.592 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.410 -14.897 -11.126 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -10.046 -15.958 -9.668 1.00 0.00 C ATOM 1585 CZ PHE A 95 -9.157 -14.903 -9.934 1.00 0.00 C ATOM 0 H PHE A 95 -12.124 -17.795 -12.588 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.096 -16.947 -14.515 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.027 -18.995 -12.259 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.637 -18.417 -13.156 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.983 -15.940 -12.967 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.866 -17.825 -10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.726 -14.087 -11.331 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.622 -15.961 -8.755 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.047 -14.097 -9.224 1.00 0.00 H new ATOM 1595 N SER A 96 -11.042 -18.730 -16.166 1.00 0.00 N ATOM 1596 CA SER A 96 -11.147 -19.781 -17.192 1.00 0.00 C ATOM 1597 C SER A 96 -9.801 -20.000 -17.891 1.00 0.00 C ATOM 1598 O SER A 96 -9.057 -19.049 -18.149 1.00 0.00 O ATOM 1599 CB SER A 96 -12.214 -19.399 -18.225 1.00 0.00 C ATOM 1600 OG SER A 96 -11.957 -18.176 -18.876 1.00 0.00 O ATOM 0 H SER A 96 -11.308 -17.801 -16.491 1.00 0.00 H new ATOM 0 HA SER A 96 -11.435 -20.711 -16.701 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.285 -20.190 -18.971 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.183 -19.341 -17.729 1.00 0.00 H new ATOM 0 HG SER A 96 -12.672 -17.992 -19.521 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.507 -21.262 -18.217 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.223 -21.625 -18.817 1.00 0.00 C ATOM 1608 C CYS A 97 -8.126 -21.098 -20.245 1.00 0.00 C ATOM 1609 O CYS A 97 -9.128 -21.011 -20.958 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.059 -23.149 -18.814 1.00 0.00 C ATOM 1611 SG CYS A 97 -6.413 -23.639 -19.356 1.00 0.00 S ATOM 0 H CYS A 97 -10.141 -22.048 -18.075 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.426 -21.173 -18.226 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.242 -23.533 -17.811 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.807 -23.597 -19.468 1.00 0.00 H new ATOM 0 HG CYS A 97 -5.582 -22.659 -19.159 1.00 0.00 H new ATOM 1616 N ARG A 98 -6.916 -20.665 -20.623 1.00 0.00 N ATOM 1617 CA ARG A 98 -6.681 -20.009 -21.916 1.00 0.00 C ATOM 1618 C ARG A 98 -5.926 -20.940 -22.882 1.00 0.00 C ATOM 1619 O ARG A 98 -5.513 -20.517 -23.961 1.00 0.00 O ATOM 1620 CB ARG A 98 -5.863 -18.717 -21.698 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.445 -17.675 -20.720 1.00 0.00 C ATOM 1622 CD ARG A 98 -7.765 -17.032 -21.173 1.00 0.00 C ATOM 1623 NE ARG A 98 -8.914 -17.902 -20.890 1.00 0.00 N ATOM 1624 CZ ARG A 98 -10.069 -17.967 -21.537 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -10.416 -17.133 -22.488 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -10.908 -18.928 -21.230 1.00 0.00 N ATOM 0 H ARG A 98 -6.079 -20.758 -20.047 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.647 -19.767 -22.359 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.872 -19.000 -21.342 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.728 -18.234 -22.666 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.603 -18.153 -19.753 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.707 -16.887 -20.569 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.898 -16.076 -20.666 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.721 -16.823 -22.242 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.810 -18.535 -20.097 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.782 -16.384 -22.766 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.320 -17.234 -22.950 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.665 -19.605 -20.507 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.803 -18.998 -21.715 1.00 0.00 H new ATOM 1640 N TRP A 99 -5.730 -22.202 -22.475 1.00 0.00 N ATOM 1641 CA TRP A 99 -5.009 -23.177 -23.297 1.00 0.00 C ATOM 1642 C TRP A 99 -5.772 -23.449 -24.617 1.00 0.00 C ATOM 1643 O TRP A 99 -6.999 -23.347 -24.668 1.00 0.00 O ATOM 1644 CB TRP A 99 -4.823 -24.486 -22.513 1.00 0.00 C ATOM 1645 CG TRP A 99 -3.593 -24.474 -21.652 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -3.375 -23.624 -20.624 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -2.381 -25.286 -21.755 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.129 -23.851 -20.080 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -1.461 -24.851 -20.753 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -1.958 -26.335 -22.600 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -0.181 -25.409 -20.610 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -0.681 -26.913 -22.457 1.00 0.00 C ATOM 1653 CH2 TRP A 99 0.208 -26.450 -21.471 1.00 0.00 C ATOM 0 H TRP A 99 -6.061 -22.569 -21.583 1.00 0.00 H new ATOM 0 HA TRP A 99 -4.030 -22.767 -23.545 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -5.699 -24.658 -21.887 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -4.764 -25.319 -23.213 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.074 -22.877 -20.279 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.750 -23.343 -19.281 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -2.624 -26.700 -23.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 0.495 -25.044 -19.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -0.382 -27.719 -23.111 1.00 0.00 H new ATOM 0 HH2 TRP A 99 1.188 -26.893 -21.375 1.00 0.00 H new ATOM 1664 N PRO A 100 -5.037 -23.798 -25.700 1.00 0.00 N ATOM 1665 CA PRO A 100 -5.616 -23.949 -27.049 1.00 0.00 C ATOM 1666 C PRO A 100 -6.472 -25.232 -27.205 1.00 0.00 C ATOM 1667 O PRO A 100 -6.670 -25.725 -28.318 1.00 0.00 O ATOM 1668 CB PRO A 100 -4.381 -23.996 -27.966 1.00 0.00 C ATOM 1669 CG PRO A 100 -3.280 -24.579 -27.079 1.00 0.00 C ATOM 1670 CD PRO A 100 -3.590 -23.963 -25.716 1.00 0.00 C ATOM 0 HA PRO A 100 -6.306 -23.138 -27.283 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.559 -24.619 -28.842 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.116 -23.003 -28.329 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.317 -25.668 -27.050 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.286 -24.303 -27.432 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.257 -24.611 -24.905 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.082 -23.007 -25.590 1.00 0.00 H new ATOM 1678 N SER A 101 -6.972 -25.762 -26.086 1.00 0.00 N ATOM 1679 CA SER A 101 -7.854 -26.941 -26.101 1.00 0.00 C ATOM 1680 C SER A 101 -8.621 -27.075 -24.768 1.00 0.00 C ATOM 1681 O SER A 101 -9.056 -28.167 -24.406 1.00 0.00 O ATOM 1682 CB SER A 101 -7.022 -28.212 -26.347 1.00 0.00 C ATOM 1683 OG SER A 101 -6.524 -28.213 -27.671 1.00 0.00 O ATOM 0 H SER A 101 -6.783 -25.395 -25.153 1.00 0.00 H new ATOM 0 HA SER A 101 -8.578 -26.815 -26.906 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.195 -28.259 -25.638 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.636 -29.097 -26.179 1.00 0.00 H new ATOM 0 HG SER A 101 -6.872 -27.434 -28.152 1.00 0.00 H new ATOM 1689 N CYS A 102 -8.770 -25.950 -24.042 1.00 0.00 N ATOM 1690 CA CYS A 102 -9.427 -25.952 -22.735 1.00 0.00 C ATOM 1691 C CYS A 102 -10.190 -24.640 -22.496 1.00 0.00 C ATOM 1692 O CYS A 102 -9.863 -23.603 -23.072 1.00 0.00 O ATOM 1693 CB CYS A 102 -8.379 -26.138 -21.637 1.00 0.00 C ATOM 1694 SG CYS A 102 -9.179 -26.280 -20.025 1.00 0.00 S ATOM 0 H CYS A 102 -8.442 -25.033 -24.344 1.00 0.00 H new ATOM 0 HA CYS A 102 -10.142 -26.774 -22.713 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.788 -27.031 -21.837 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -7.690 -25.293 -21.636 1.00 0.00 H new ATOM 0 HG CYS A 102 -8.276 -26.455 -19.106 1.00 0.00 H new ATOM 1699 N GLN A 103 -11.168 -24.698 -21.582 1.00 0.00 N ATOM 1700 CA GLN A 103 -11.862 -23.502 -21.075 1.00 0.00 C ATOM 1701 C GLN A 103 -12.322 -23.732 -19.604 1.00 0.00 C ATOM 1702 O GLN A 103 -13.281 -23.107 -19.140 1.00 0.00 O ATOM 1703 CB GLN A 103 -13.094 -23.179 -21.965 1.00 0.00 C ATOM 1704 CG GLN A 103 -12.823 -22.553 -23.344 1.00 0.00 C ATOM 1705 CD GLN A 103 -12.148 -21.181 -23.263 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -12.770 -20.154 -23.014 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -10.844 -21.123 -23.419 1.00 0.00 N ATOM 0 H GLN A 103 -11.501 -25.571 -21.173 1.00 0.00 H new ATOM 0 HA GLN A 103 -11.171 -22.660 -21.105 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.652 -24.103 -22.118 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.744 -22.503 -21.409 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.192 -23.227 -23.924 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.765 -22.456 -23.883 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.317 -21.971 -23.626 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.359 -20.230 -23.333 1.00 0.00 H new ATOM 1716 N LYS A 104 -11.636 -24.657 -18.894 1.00 0.00 N ATOM 1717 CA LYS A 104 -12.007 -25.025 -17.511 1.00 0.00 C ATOM 1718 C LYS A 104 -11.914 -23.813 -16.599 1.00 0.00 C ATOM 1719 O LYS A 104 -10.973 -23.032 -16.695 1.00 0.00 O ATOM 1720 CB LYS A 104 -11.074 -26.141 -16.988 1.00 0.00 C ATOM 1721 CG LYS A 104 -11.606 -27.575 -17.181 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.940 -27.992 -18.627 1.00 0.00 C ATOM 1723 CE LYS A 104 -11.271 -29.302 -19.064 1.00 0.00 C ATOM 1724 NZ LYS A 104 -9.800 -29.175 -19.115 1.00 0.00 N ATOM 0 H LYS A 104 -10.826 -25.160 -19.256 1.00 0.00 H new ATOM 0 HA LYS A 104 -13.034 -25.389 -17.514 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.111 -26.055 -17.492 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.894 -25.976 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.865 -28.270 -16.787 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.505 -27.691 -16.576 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.021 -28.097 -18.725 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.634 -27.195 -19.305 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.544 -30.098 -18.371 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.645 -29.592 -20.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.432 -29.721 -19.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.542 -28.174 -19.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.389 -29.540 -18.232 1.00 0.00 H new ATOM 1738 N LYS A 105 -12.935 -23.625 -15.755 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.075 -22.388 -14.982 1.00 0.00 C ATOM 1740 C LYS A 105 -12.848 -22.631 -13.495 1.00 0.00 C ATOM 1741 O LYS A 105 -13.359 -23.597 -12.924 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.474 -21.789 -15.205 1.00 0.00 C ATOM 1743 CG LYS A 105 -14.809 -21.697 -16.701 1.00 0.00 C ATOM 1744 CD LYS A 105 -15.899 -20.670 -17.028 1.00 0.00 C ATOM 1745 CE LYS A 105 -16.334 -20.774 -18.498 1.00 0.00 C ATOM 1746 NZ LYS A 105 -15.206 -20.625 -19.443 1.00 0.00 N ATOM 0 H LYS A 105 -13.672 -24.310 -15.591 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.316 -21.687 -15.328 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.220 -22.403 -14.700 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.523 -20.796 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.904 -21.440 -17.252 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.129 -22.678 -17.053 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.760 -20.830 -16.379 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.529 -19.665 -16.825 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.814 -21.739 -18.662 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.080 -20.007 -18.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.571 -20.585 -20.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.689 -19.748 -19.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.564 -21.437 -19.348 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.116 -21.711 -12.867 1.00 0.00 N ATOM 1761 CA PHE A 106 -11.833 -21.769 -11.435 1.00 0.00 C ATOM 1762 C PHE A 106 -12.227 -20.465 -10.762 1.00 0.00 C ATOM 1763 O PHE A 106 -12.360 -19.431 -11.423 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.335 -22.032 -11.217 1.00 0.00 C ATOM 1765 CG PHE A 106 -9.885 -23.314 -11.887 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.051 -24.546 -11.229 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.428 -23.284 -13.219 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -9.791 -25.748 -11.911 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.187 -24.484 -13.909 1.00 0.00 C ATOM 1770 CZ PHE A 106 -9.380 -25.715 -13.255 1.00 0.00 C ATOM 0 H PHE A 106 -11.703 -20.905 -13.337 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.415 -22.579 -10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.758 -21.195 -11.610 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.128 -22.088 -10.148 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.378 -24.569 -10.200 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.263 -22.337 -13.711 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.907 -26.694 -11.403 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.855 -24.462 -14.937 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.212 -26.639 -13.788 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.437 -20.513 -9.442 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.831 -19.332 -8.685 1.00 0.00 C ATOM 1782 C ALA A 107 -11.620 -18.699 -7.981 1.00 0.00 C ATOM 1783 O ALA A 107 -11.767 -17.729 -7.240 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.893 -19.721 -7.649 1.00 0.00 C ATOM 0 H ALA A 107 -12.339 -21.359 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.243 -18.597 -9.377 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.189 -18.838 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.764 -20.134 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.482 -20.468 -6.970 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.423 -19.247 -8.230 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.193 -18.715 -7.650 1.00 0.00 C ATOM 1792 C ARG A 108 -8.083 -18.665 -8.702 1.00 0.00 C ATOM 1793 O ARG A 108 -7.885 -19.618 -9.467 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.752 -19.586 -6.457 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.901 -19.980 -5.504 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.426 -20.846 -4.337 1.00 0.00 C ATOM 1797 NE ARG A 108 -8.719 -20.048 -3.341 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.597 -20.343 -2.698 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -6.926 -21.454 -2.863 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -7.176 -19.451 -1.845 1.00 0.00 N ATOM 0 H ARG A 108 -10.285 -20.060 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.384 -17.701 -7.299 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.283 -20.493 -6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.992 -19.048 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.370 -19.077 -5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.664 -20.519 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.282 -21.337 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.770 -21.633 -4.708 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.141 -19.149 -3.110 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.260 -22.159 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.069 -21.615 -2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.704 -18.589 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.319 -19.615 -1.317 1.00 0.00 H new ATOM 1814 N SER A 109 -7.362 -17.549 -8.735 1.00 0.00 N ATOM 1815 CA SER A 109 -6.275 -17.358 -9.687 1.00 0.00 C ATOM 1816 C SER A 109 -5.214 -18.456 -9.523 1.00 0.00 C ATOM 1817 O SER A 109 -4.745 -19.020 -10.502 1.00 0.00 O ATOM 1818 CB SER A 109 -5.634 -15.970 -9.482 1.00 0.00 C ATOM 1819 OG SER A 109 -5.585 -15.608 -8.114 1.00 0.00 O ATOM 0 H SER A 109 -7.513 -16.758 -8.108 1.00 0.00 H new ATOM 0 HA SER A 109 -6.683 -17.419 -10.696 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.625 -15.972 -9.893 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.202 -15.222 -10.035 1.00 0.00 H new ATOM 0 HG SER A 109 -5.171 -14.724 -8.024 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.899 -18.800 -8.268 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.929 -19.864 -7.972 1.00 0.00 C ATOM 1827 C ASP A 110 -4.459 -21.264 -8.400 1.00 0.00 C ATOM 1828 O ASP A 110 -3.684 -22.112 -8.823 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.585 -19.866 -6.481 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.763 -19.677 -5.519 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.778 -20.389 -5.667 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.619 -18.790 -4.649 1.00 0.00 O ATOM 0 H ASP A 110 -5.301 -18.358 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.028 -19.659 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.095 -20.810 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.859 -19.074 -6.295 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.783 -21.486 -8.295 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.394 -22.738 -8.787 1.00 0.00 C ATOM 1839 C GLU A 111 -6.171 -22.878 -10.291 1.00 0.00 C ATOM 1840 O GLU A 111 -5.795 -23.949 -10.770 1.00 0.00 O ATOM 1841 CB GLU A 111 -7.905 -22.762 -8.492 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.291 -23.270 -7.100 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.808 -23.191 -6.831 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.570 -22.721 -7.710 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.191 -23.581 -5.706 1.00 0.00 O ATOM 0 H GLU A 111 -6.442 -20.827 -7.881 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.919 -23.571 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.299 -21.753 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.394 -23.388 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.961 -24.303 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.763 -22.686 -6.346 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.350 -21.770 -11.029 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.078 -21.756 -12.467 1.00 0.00 C ATOM 1854 C LEU A 112 -4.561 -21.943 -12.743 1.00 0.00 C ATOM 1855 O LEU A 112 -4.181 -22.689 -13.643 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.572 -20.440 -13.090 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.283 -20.367 -14.604 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -6.975 -21.490 -15.380 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.730 -19.035 -15.206 1.00 0.00 C ATOM 0 H LEU A 112 -6.680 -20.881 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.615 -22.587 -12.924 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.644 -20.340 -12.921 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.091 -19.600 -12.589 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.202 -20.472 -14.697 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.742 -21.397 -16.441 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.623 -22.455 -15.015 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.053 -21.419 -15.238 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.508 -19.025 -16.273 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.803 -18.910 -15.057 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.198 -18.218 -14.718 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.706 -21.303 -11.921 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.239 -21.497 -12.019 1.00 0.00 C ATOM 1873 C VAL A 113 -1.889 -22.980 -11.835 1.00 0.00 C ATOM 1874 O VAL A 113 -1.127 -23.548 -12.616 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.507 -20.653 -10.939 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.007 -20.978 -10.846 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.605 -19.139 -11.156 1.00 0.00 C ATOM 0 H VAL A 113 -3.997 -20.655 -11.190 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.914 -21.169 -13.006 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.028 -20.929 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.452 -20.359 -10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.122 -22.030 -10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.469 -20.776 -11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.069 -18.622 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.164 -18.880 -12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.652 -18.837 -11.144 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.494 -23.610 -10.817 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.285 -25.036 -10.556 1.00 0.00 C ATOM 1889 C ARG A 114 -2.767 -25.872 -11.747 1.00 0.00 C ATOM 1890 O ARG A 114 -2.019 -26.693 -12.268 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.039 -25.452 -9.279 1.00 0.00 C ATOM 1892 CG ARG A 114 -2.864 -26.945 -8.944 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.496 -27.313 -7.594 1.00 0.00 C ATOM 1894 NE ARG A 114 -2.734 -26.743 -6.471 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.040 -26.810 -5.180 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.127 -27.407 -4.742 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.238 -26.255 -4.301 1.00 0.00 N ATOM 0 H ARG A 114 -3.130 -23.153 -10.164 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.219 -25.214 -10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.684 -24.852 -8.441 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.100 -25.233 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -3.316 -27.548 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -1.802 -27.190 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.523 -26.950 -7.560 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -3.538 -28.398 -7.494 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.878 -26.242 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.772 -27.841 -5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.325 -27.436 -3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.391 -25.779 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.462 -26.300 -3.307 1.00 0.00 H new ATOM 1911 N HIS A 115 -3.978 -25.567 -12.247 1.00 0.00 N ATOM 1912 CA HIS A 115 -4.529 -26.267 -13.417 1.00 0.00 C ATOM 1913 C HIS A 115 -3.557 -26.202 -14.595 1.00 0.00 C ATOM 1914 O HIS A 115 -3.198 -27.230 -15.167 1.00 0.00 O ATOM 1915 CB HIS A 115 -5.873 -25.642 -13.820 1.00 0.00 C ATOM 1916 CG HIS A 115 -6.441 -26.215 -15.099 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.067 -27.436 -15.222 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -6.430 -25.628 -16.340 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -7.445 -27.566 -16.505 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.087 -26.487 -17.208 1.00 0.00 N ATOM 0 H HIS A 115 -4.588 -24.846 -11.862 1.00 0.00 H new ATOM 0 HA HIS A 115 -4.682 -27.312 -13.149 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.591 -25.791 -13.013 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -5.744 -24.566 -13.938 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.216 -28.116 -14.477 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.991 -24.674 -16.593 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.965 -28.421 -16.911 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.077 -24.993 -14.904 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.089 -24.803 -15.965 1.00 0.00 C ATOM 1930 C HIS A 116 -0.815 -25.644 -15.692 1.00 0.00 C ATOM 1931 O HIS A 116 -0.262 -26.252 -16.609 1.00 0.00 O ATOM 1932 CB HIS A 116 -1.714 -23.317 -16.074 1.00 0.00 C ATOM 1933 CG HIS A 116 -2.773 -22.391 -16.637 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -2.756 -21.028 -16.504 1.00 0.00 N flip ATOM 1935 CD2 HIS A 116 -3.846 -22.707 -17.450 1.00 0.00 C flip ATOM 1936 CE1 HIS A 116 -3.819 -20.504 -17.245 1.00 0.00 C flip ATOM 1937 NE2 HIS A 116 -4.447 -21.555 -17.791 1.00 0.00 N flip ATOM 0 H HIS A 116 -3.358 -24.133 -14.433 1.00 0.00 H new ATOM 0 HA HIS A 116 -2.530 -25.136 -16.904 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.442 -22.960 -15.081 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -0.823 -23.235 -16.697 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -2.084 -20.489 -15.959 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.146 -23.699 -17.755 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -4.082 -19.462 -17.355 1.00 0.00 H new ATOM 1945 N ASN A 117 -0.411 -25.732 -14.410 1.00 0.00 N ATOM 1946 CA ASN A 117 0.801 -26.474 -14.024 1.00 0.00 C ATOM 1947 C ASN A 117 0.613 -27.997 -14.231 1.00 0.00 C ATOM 1948 O ASN A 117 1.587 -28.752 -14.250 1.00 0.00 O ATOM 1949 CB ASN A 117 1.138 -26.186 -12.543 1.00 0.00 C ATOM 1950 CG ASN A 117 2.609 -26.346 -12.170 1.00 0.00 C ATOM 1951 OD1 ASN A 117 3.170 -25.528 -11.460 1.00 0.00 O ATOM 1952 ND2 ASN A 117 3.279 -27.390 -12.608 1.00 0.00 N ATOM 0 H ASN A 117 -0.905 -25.300 -13.629 1.00 0.00 H new ATOM 0 HA ASN A 117 1.622 -26.142 -14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.828 -25.168 -12.308 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.546 -26.852 -11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.259 -27.510 -12.353 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.818 -28.079 -13.202 1.00 0.00 H new ATOM 1959 N MET A 118 -0.645 -28.429 -14.393 1.00 0.00 N ATOM 1960 CA MET A 118 -0.968 -29.843 -14.610 1.00 0.00 C ATOM 1961 C MET A 118 -1.530 -30.070 -16.033 1.00 0.00 C ATOM 1962 O MET A 118 -1.964 -31.172 -16.365 1.00 0.00 O ATOM 1963 CB MET A 118 -2.002 -30.304 -13.566 1.00 0.00 C ATOM 1964 CG MET A 118 -1.463 -30.203 -12.133 1.00 0.00 C ATOM 1965 SD MET A 118 -2.665 -30.657 -10.855 1.00 0.00 S ATOM 1966 CE MET A 118 -1.605 -30.512 -9.393 1.00 0.00 C ATOM 0 H MET A 118 -1.459 -27.814 -14.377 1.00 0.00 H new ATOM 0 HA MET A 118 -0.053 -30.425 -14.504 1.00 0.00 H new ATOM 0 HB2 MET A 118 -2.903 -29.697 -13.657 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.290 -31.335 -13.772 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.589 -30.847 -12.039 1.00 0.00 H new ATOM 0 HG3 MET A 118 -1.127 -29.182 -11.954 1.00 0.00 H new ATOM 0 HE1 MET A 118 -2.181 -30.757 -8.500 1.00 0.00 H new ATOM 0 HE2 MET A 118 -0.765 -31.200 -9.483 1.00 0.00 H new ATOM 0 HE3 MET A 118 -1.231 -29.491 -9.315 1.00 0.00 H new ATOM 1976 N HIS A 119 -1.545 -29.007 -16.855 1.00 0.00 N ATOM 1977 CA HIS A 119 -2.181 -29.060 -18.168 1.00 0.00 C ATOM 1978 C HIS A 119 -1.363 -29.919 -19.140 1.00 0.00 C ATOM 1979 O HIS A 119 -1.788 -30.168 -20.272 1.00 0.00 O ATOM 1980 CB HIS A 119 -2.334 -27.644 -18.730 1.00 0.00 C ATOM 1981 CG HIS A 119 -3.602 -27.511 -19.518 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -3.994 -28.337 -20.542 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -4.661 -26.710 -19.191 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -5.281 -28.049 -20.806 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -5.726 -27.083 -20.006 1.00 0.00 N ATOM 0 H HIS A 119 -1.123 -28.106 -16.628 1.00 0.00 H new ATOM 0 HA HIS A 119 -3.165 -29.514 -18.053 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.333 -26.923 -17.913 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.481 -27.407 -19.365 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -3.419 -29.036 -21.013 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -4.669 -25.933 -18.441 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -5.874 -28.536 -21.566 1.00 0.00 H new