USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 658 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 75 ASN :FLIP amide:sc= -2.39! C(o=-20!,f=-7.7!) USER MOD Set 1.2: A 77 THR OG1 : rot 80:sc= -5.28! USER MOD Set 2.1: A 61 SER OG : rot -111:sc= 1.76 USER MOD Set 2.2: A 73 THR OG1 : rot 124:sc= 0.655 USER MOD Set 3.1: A 8 CYS SG : rot 155:sc= -3.28 USER MOD Set 3.2: A 10 HIS : no HD1:sc= -6.83! C(o=-49!,f=-54!) USER MOD Set 3.3: A 43 CYS SG : rot -161:sc= -2.03 USER MOD Set 3.4: A 45 GLN : amide:sc= -3.66 K(o=-49,f=-49!) USER MOD Set 3.5: A 48 CYS SG : rot -62:sc= 0.106 USER MOD Set 3.6: A 64 HIS :FLIP no HE2:sc= -2.75 F(o=-56!,f=-49) USER MOD Set 3.7: A 68 LYS NZ :NH3+ -152:sc= 0.705 (180deg=-0.887) USER MOD Set 3.8: A 70 HIS : no HD1:sc= -4.07 K(o=-49,f=-52!) USER MOD Set 3.9: A 71 ASN :FLIP amide:sc= -15.9! C(o=-49!,f=-49!) USER MOD Set 3.10: A 83 CYS SG : rot -159:sc= -5.06! USER MOD Set 3.11: A 86 CYS SG : rot 135:sc= -5.78! USER MOD Set 4.1: A 30 CYS SG : rot -152:sc= -0.44! USER MOD Set 4.2: A 33 CYS SG : rot -145:sc= 0.265 USER MOD Set 4.3: A 53 CYS SG : rot -117:sc= 1.48 USER MOD Set 4.4: A 60 HIS :FLIP no HD1:sc= -1.94 F(o=-3!,f=-0.63) USER MOD Set 5.1: A 31 GLN : amide:sc= -8.07! C(o=-8.4!,f=-11!) USER MOD Set 5.2: A 32 SER OG : rot 104:sc= -0.303 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.586 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -6.36! (180deg=-8.32!) USER MOD Single : A 26 SER OG : rot -48:sc= -1.09 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0804 USER MOD Single : A 36 THR OG1 : rot 87:sc= -1.14! USER MOD Single : A 39 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.4) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -1.72! USER MOD Single : A 62 THR OG1 : rot -52:sc= -0.268! USER MOD Single : A 66 GLN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -148:sc= -0.107 (180deg=-1.27) USER MOD Single : A 78 THR OG1 : rot -140:sc= -0.0654 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= -0.482 (180deg=-2.02) USER MOD Single : A 94 GLN : amide:sc= -0.413 K(o=-0.41,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.487 7.028 4.339 1.00 0.00 N ATOM 73 CA ASP A 6 11.076 6.729 3.966 1.00 0.00 C ATOM 74 C ASP A 6 11.024 5.395 3.217 1.00 0.00 C ATOM 75 O ASP A 6 10.048 4.673 3.282 1.00 0.00 O ATOM 76 CB ASP A 6 10.546 7.854 3.065 1.00 0.00 C ATOM 77 CG ASP A 6 9.143 8.263 3.519 1.00 0.00 C ATOM 78 OD1 ASP A 6 8.414 7.395 3.968 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.824 9.436 3.411 1.00 0.00 O ATOM 0 HA ASP A 6 10.459 6.662 4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.217 8.712 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.520 7.520 2.028 1.00 0.00 H new ATOM 84 N LEU A 7 12.066 5.065 2.504 1.00 0.00 N ATOM 85 CA LEU A 7 12.077 3.781 1.749 1.00 0.00 C ATOM 86 C LEU A 7 12.061 2.607 2.740 1.00 0.00 C ATOM 87 O LEU A 7 12.511 2.724 3.862 1.00 0.00 O ATOM 88 CB LEU A 7 13.323 3.743 0.831 1.00 0.00 C ATOM 89 CG LEU A 7 14.496 2.937 1.437 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.809 3.406 2.869 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.180 1.429 1.420 1.00 0.00 C ATOM 0 H LEU A 7 12.910 5.630 2.412 1.00 0.00 H new ATOM 0 HA LEU A 7 11.191 3.698 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.047 3.306 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.654 4.763 0.634 1.00 0.00 H new ATOM 0 HG LEU A 7 15.379 3.115 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.637 2.822 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.082 4.461 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.929 3.267 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.016 0.877 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.280 1.239 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 7 14.020 1.102 0.392 1.00 0.00 H new ATOM 103 N CYS A 8 11.538 1.477 2.334 1.00 0.00 N ATOM 104 CA CYS A 8 11.492 0.288 3.242 1.00 0.00 C ATOM 105 C CYS A 8 12.213 -0.876 2.551 1.00 0.00 C ATOM 106 O CYS A 8 12.375 -0.885 1.348 1.00 0.00 O ATOM 107 CB CYS A 8 10.024 -0.091 3.553 1.00 0.00 C ATOM 108 SG CYS A 8 9.670 -1.790 3.000 1.00 0.00 S ATOM 0 H CYS A 8 11.139 1.326 1.408 1.00 0.00 H new ATOM 0 HA CYS A 8 11.986 0.519 4.186 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.840 -0.005 4.624 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.350 0.607 3.057 1.00 0.00 H new ATOM 0 HG CYS A 8 8.682 -2.275 3.692 1.00 0.00 H new ATOM 113 N PRO A 9 12.650 -1.847 3.302 1.00 0.00 N ATOM 114 CA PRO A 9 13.374 -3.035 2.752 1.00 0.00 C ATOM 115 C PRO A 9 12.579 -3.698 1.627 1.00 0.00 C ATOM 116 O PRO A 9 13.054 -3.872 0.523 1.00 0.00 O ATOM 117 CB PRO A 9 13.484 -3.982 3.961 1.00 0.00 C ATOM 118 CG PRO A 9 12.497 -3.457 4.951 1.00 0.00 C ATOM 119 CD PRO A 9 12.497 -1.950 4.753 1.00 0.00 C ATOM 0 HA PRO A 9 14.340 -2.771 2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.253 -5.010 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.494 -3.983 4.372 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.506 -3.877 4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.783 -3.720 5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.572 -1.490 5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.315 -1.466 5.287 1.00 0.00 H new ATOM 127 N HIS A 10 11.366 -4.061 1.918 1.00 0.00 N ATOM 128 CA HIS A 10 10.502 -4.714 0.891 1.00 0.00 C ATOM 129 C HIS A 10 9.936 -3.644 -0.044 1.00 0.00 C ATOM 130 O HIS A 10 9.187 -3.932 -0.956 1.00 0.00 O ATOM 131 CB HIS A 10 9.352 -5.458 1.589 1.00 0.00 C ATOM 132 CG HIS A 10 9.826 -5.981 2.915 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.800 -5.214 4.081 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.346 -7.200 3.277 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.294 -5.986 5.071 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.637 -7.198 4.633 1.00 0.00 N ATOM 0 H HIS A 10 10.928 -3.934 2.830 1.00 0.00 H new ATOM 0 HA HIS A 10 11.090 -5.426 0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.505 -4.787 1.732 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.005 -6.281 0.964 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.504 -8.033 2.608 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.399 -5.661 6.096 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.031 -7.963 5.181 1.00 0.00 H new ATOM 144 N LEU A 11 10.290 -2.410 0.182 1.00 0.00 N ATOM 145 CA LEU A 11 9.777 -1.310 -0.681 1.00 0.00 C ATOM 146 C LEU A 11 10.397 -1.419 -2.075 1.00 0.00 C ATOM 147 O LEU A 11 9.797 -1.044 -3.064 1.00 0.00 O ATOM 148 CB LEU A 11 10.157 0.030 -0.047 1.00 0.00 C ATOM 149 CG LEU A 11 9.362 1.177 -0.698 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.802 2.106 0.387 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.282 1.978 -1.629 1.00 0.00 C ATOM 0 H LEU A 11 10.916 -2.115 0.931 1.00 0.00 H new ATOM 0 HA LEU A 11 8.693 -1.381 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.957 0.002 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.226 0.206 -0.167 1.00 0.00 H new ATOM 0 HG LEU A 11 8.537 0.756 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.241 2.915 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.143 1.540 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.624 2.524 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.717 2.789 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.110 2.393 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.673 1.322 -2.407 1.00 0.00 H new ATOM 163 N ASP A 12 11.590 -1.931 -2.162 1.00 0.00 N ATOM 164 CA ASP A 12 12.250 -2.070 -3.488 1.00 0.00 C ATOM 165 C ASP A 12 11.759 -3.350 -4.168 1.00 0.00 C ATOM 166 O ASP A 12 11.874 -3.511 -5.367 1.00 0.00 O ATOM 167 CB ASP A 12 13.762 -2.157 -3.291 1.00 0.00 C ATOM 168 CG ASP A 12 14.456 -2.189 -4.654 1.00 0.00 C ATOM 169 OD1 ASP A 12 15.504 -2.805 -4.748 1.00 0.00 O ATOM 170 OD2 ASP A 12 13.927 -1.598 -5.580 1.00 0.00 O ATOM 0 H ASP A 12 12.139 -2.261 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 12 12.007 -1.208 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.113 -1.302 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.014 -3.052 -2.722 1.00 0.00 H new ATOM 175 N SER A 13 11.223 -4.266 -3.409 1.00 0.00 N ATOM 176 CA SER A 13 10.736 -5.541 -4.010 1.00 0.00 C ATOM 177 C SER A 13 9.357 -5.330 -4.641 1.00 0.00 C ATOM 178 O SER A 13 8.939 -6.082 -5.500 1.00 0.00 O ATOM 179 CB SER A 13 10.637 -6.609 -2.921 1.00 0.00 C ATOM 180 OG SER A 13 10.387 -7.872 -3.523 1.00 0.00 O ATOM 0 H SER A 13 11.101 -4.187 -2.399 1.00 0.00 H new ATOM 0 HA SER A 13 11.436 -5.863 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.562 -6.644 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.837 -6.361 -2.224 1.00 0.00 H new ATOM 0 HG SER A 13 10.325 -8.559 -2.827 1.00 0.00 H new ATOM 186 N ILE A 14 8.643 -4.322 -4.222 1.00 0.00 N ATOM 187 CA ILE A 14 7.288 -4.078 -4.799 1.00 0.00 C ATOM 188 C ILE A 14 7.405 -3.228 -6.066 1.00 0.00 C ATOM 189 O ILE A 14 6.420 -2.744 -6.586 1.00 0.00 O ATOM 190 CB ILE A 14 6.435 -3.335 -3.776 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.190 -2.095 -3.298 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.152 -4.251 -2.581 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.228 -1.146 -2.577 1.00 0.00 C ATOM 0 H ILE A 14 8.937 -3.657 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 14 6.826 -5.033 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 14 5.492 -3.038 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.998 -2.386 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.648 -1.587 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.542 -3.719 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.618 -5.138 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.094 -4.548 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.772 -0.264 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.435 -0.843 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.791 -1.655 -1.718 1.00 0.00 H new ATOM 205 N GLY A 15 8.598 -3.046 -6.569 1.00 0.00 N ATOM 206 CA GLY A 15 8.784 -2.229 -7.808 1.00 0.00 C ATOM 207 C GLY A 15 7.798 -1.055 -7.825 1.00 0.00 C ATOM 208 O GLY A 15 7.386 -0.564 -6.793 1.00 0.00 O ATOM 0 H GLY A 15 9.457 -3.430 -6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.807 -1.854 -7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.633 -2.853 -8.689 1.00 0.00 H new ATOM 212 N GLU A 16 7.416 -0.608 -8.995 1.00 0.00 N ATOM 213 CA GLU A 16 6.453 0.532 -9.097 1.00 0.00 C ATOM 214 C GLU A 16 5.275 0.113 -9.980 1.00 0.00 C ATOM 215 O GLU A 16 5.321 0.226 -11.188 1.00 0.00 O ATOM 216 CB GLU A 16 7.157 1.742 -9.723 1.00 0.00 C ATOM 217 CG GLU A 16 6.224 2.961 -9.713 1.00 0.00 C ATOM 218 CD GLU A 16 5.855 3.317 -8.272 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.732 3.745 -8.057 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.701 3.158 -7.409 1.00 0.00 O ATOM 0 H GLU A 16 7.731 -0.985 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 16 6.092 0.799 -8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.069 1.968 -9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.454 1.510 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.713 3.809 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.323 2.746 -10.287 1.00 0.00 H new ATOM 227 N VAL A 17 4.220 -0.371 -9.384 1.00 0.00 N ATOM 228 CA VAL A 17 3.040 -0.799 -10.187 1.00 0.00 C ATOM 229 C VAL A 17 2.460 0.424 -10.909 1.00 0.00 C ATOM 230 O VAL A 17 3.046 1.488 -10.903 1.00 0.00 O ATOM 231 CB VAL A 17 1.995 -1.424 -9.243 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.040 -0.346 -8.718 1.00 0.00 C ATOM 233 CG2 VAL A 17 1.197 -2.506 -9.988 1.00 0.00 C ATOM 0 H VAL A 17 4.124 -0.489 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 17 3.329 -1.541 -10.931 1.00 0.00 H new ATOM 0 HB VAL A 17 2.514 -1.877 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.307 -0.802 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.607 0.408 -8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.526 0.124 -9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.460 -2.943 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.688 -2.059 -10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.876 -3.284 -10.337 1.00 0.00 H new ATOM 243 N THR A 18 1.318 0.291 -11.530 1.00 0.00 N ATOM 244 CA THR A 18 0.726 1.459 -12.240 1.00 0.00 C ATOM 245 C THR A 18 0.287 2.492 -11.205 1.00 0.00 C ATOM 246 O THR A 18 -0.373 2.177 -10.238 1.00 0.00 O ATOM 247 CB THR A 18 -0.482 0.995 -13.070 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.781 -0.357 -12.750 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.159 1.102 -14.563 1.00 0.00 C ATOM 0 H THR A 18 0.774 -0.570 -11.576 1.00 0.00 H new ATOM 0 HA THR A 18 1.462 1.905 -12.909 1.00 0.00 H new ATOM 0 HB THR A 18 -1.340 1.627 -12.841 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.552 -0.655 -13.277 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.019 0.772 -15.146 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.072 2.138 -14.812 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.700 0.473 -14.795 1.00 0.00 H new ATOM 257 N LYS A 19 0.639 3.726 -11.408 1.00 0.00 N ATOM 258 CA LYS A 19 0.229 4.778 -10.440 1.00 0.00 C ATOM 259 C LYS A 19 -1.293 4.823 -10.450 1.00 0.00 C ATOM 260 O LYS A 19 -1.939 4.655 -9.436 1.00 0.00 O ATOM 261 CB LYS A 19 0.815 6.139 -10.856 1.00 0.00 C ATOM 262 CG LYS A 19 1.635 5.989 -12.148 1.00 0.00 C ATOM 263 CD LYS A 19 2.760 7.031 -12.179 1.00 0.00 C ATOM 264 CE LYS A 19 3.991 6.476 -11.449 1.00 0.00 C ATOM 265 NZ LYS A 19 4.907 7.598 -11.099 1.00 0.00 N ATOM 0 H LYS A 19 1.192 4.053 -12.200 1.00 0.00 H new ATOM 0 HA LYS A 19 0.599 4.555 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.011 6.859 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.447 6.531 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.056 4.985 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.988 6.115 -13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.015 7.276 -13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.428 7.955 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.684 5.947 -10.546 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.508 5.754 -12.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.742 7.223 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.209 8.084 -11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.411 8.271 -10.480 1.00 0.00 H new ATOM 279 N GLU A 20 -1.869 5.008 -11.605 1.00 0.00 N ATOM 280 CA GLU A 20 -3.346 5.015 -11.708 1.00 0.00 C ATOM 281 C GLU A 20 -3.873 3.852 -10.876 1.00 0.00 C ATOM 282 O GLU A 20 -4.858 3.966 -10.180 1.00 0.00 O ATOM 283 CB GLU A 20 -3.747 4.854 -13.176 1.00 0.00 C ATOM 284 CG GLU A 20 -5.200 4.351 -13.303 1.00 0.00 C ATOM 285 CD GLU A 20 -5.219 3.002 -14.029 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.927 2.894 -15.017 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.527 2.102 -13.585 1.00 0.00 O ATOM 0 H GLU A 20 -1.373 5.155 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.764 5.952 -11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.643 5.809 -13.691 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.072 4.152 -13.666 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.647 4.249 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.800 5.078 -13.851 1.00 0.00 H new ATOM 294 N ASP A 21 -3.202 2.736 -10.917 1.00 0.00 N ATOM 295 CA ASP A 21 -3.659 1.580 -10.098 1.00 0.00 C ATOM 296 C ASP A 21 -3.894 2.077 -8.676 1.00 0.00 C ATOM 297 O ASP A 21 -4.875 1.750 -8.044 1.00 0.00 O ATOM 298 CB ASP A 21 -2.592 0.480 -10.098 1.00 0.00 C ATOM 299 CG ASP A 21 -3.238 -0.863 -9.750 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.293 -0.849 -9.137 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.667 -1.882 -10.101 1.00 0.00 O ATOM 0 H ASP A 21 -2.365 2.574 -11.477 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.577 1.164 -10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.115 0.423 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.811 0.717 -9.376 1.00 0.00 H new ATOM 306 N LEU A 22 -3.009 2.896 -8.182 1.00 0.00 N ATOM 307 CA LEU A 22 -3.190 3.443 -6.811 1.00 0.00 C ATOM 308 C LEU A 22 -4.312 4.471 -6.851 1.00 0.00 C ATOM 309 O LEU A 22 -4.933 4.779 -5.853 1.00 0.00 O ATOM 310 CB LEU A 22 -1.893 4.107 -6.328 1.00 0.00 C ATOM 311 CG LEU A 22 -0.681 3.380 -6.914 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.602 4.028 -6.392 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.708 1.910 -6.501 1.00 0.00 C ATOM 0 H LEU A 22 -2.169 3.210 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.440 2.637 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.878 5.155 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.848 4.086 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.713 3.450 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.466 3.511 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.628 5.076 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.628 3.959 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.158 1.398 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.680 1.837 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.621 1.444 -6.873 1.00 0.00 H new ATOM 325 N LEU A 23 -4.573 4.996 -8.009 1.00 0.00 N ATOM 326 CA LEU A 23 -5.653 6.000 -8.154 1.00 0.00 C ATOM 327 C LEU A 23 -6.998 5.273 -8.197 1.00 0.00 C ATOM 328 O LEU A 23 -7.848 5.496 -7.358 1.00 0.00 O ATOM 329 CB LEU A 23 -5.402 6.786 -9.447 1.00 0.00 C ATOM 330 CG LEU A 23 -3.975 7.368 -9.416 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.783 8.332 -10.598 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.749 8.130 -8.102 1.00 0.00 C ATOM 0 H LEU A 23 -4.078 4.769 -8.871 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.667 6.695 -7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.523 6.134 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.133 7.588 -9.547 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.258 6.550 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.773 8.742 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.933 7.794 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.506 9.145 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.738 8.538 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.470 8.944 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.878 7.450 -7.260 1.00 0.00 H new ATOM 344 N LEU A 24 -7.204 4.380 -9.133 1.00 0.00 N ATOM 345 CA LEU A 24 -8.497 3.651 -9.142 1.00 0.00 C ATOM 346 C LEU A 24 -8.643 2.955 -7.802 1.00 0.00 C ATOM 347 O LEU A 24 -9.686 2.996 -7.202 1.00 0.00 O ATOM 348 CB LEU A 24 -8.559 2.617 -10.271 1.00 0.00 C ATOM 349 CG LEU A 24 -7.429 1.583 -10.143 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.959 0.307 -9.476 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.909 1.229 -11.542 1.00 0.00 C ATOM 0 H LEU A 24 -6.547 4.132 -9.872 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.307 4.360 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.523 2.110 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.486 3.122 -11.234 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.627 2.004 -9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.152 -0.420 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.340 0.547 -8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.762 -0.113 -10.081 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.107 0.496 -11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.721 0.811 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.529 2.128 -12.027 1.00 0.00 H new ATOM 363 N LYS A 25 -7.597 2.345 -7.306 1.00 0.00 N ATOM 364 CA LYS A 25 -7.705 1.685 -5.977 1.00 0.00 C ATOM 365 C LYS A 25 -8.351 2.688 -5.022 1.00 0.00 C ATOM 366 O LYS A 25 -9.246 2.368 -4.266 1.00 0.00 O ATOM 367 CB LYS A 25 -6.307 1.301 -5.483 1.00 0.00 C ATOM 368 CG LYS A 25 -5.864 -0.003 -6.161 1.00 0.00 C ATOM 369 CD LYS A 25 -4.360 -0.211 -5.953 1.00 0.00 C ATOM 370 CE LYS A 25 -4.015 -1.691 -6.136 1.00 0.00 C ATOM 371 NZ LYS A 25 -4.836 -2.261 -7.242 1.00 0.00 N ATOM 0 H LYS A 25 -6.686 2.277 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.306 0.778 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.599 2.099 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.314 1.176 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.418 -0.845 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.091 0.035 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.797 0.394 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.072 0.119 -4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.954 -1.803 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.203 -2.236 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.309 -3.028 -7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.726 -2.636 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.047 -1.517 -7.937 1.00 0.00 H new ATOM 385 N SER A 26 -7.915 3.916 -5.088 1.00 0.00 N ATOM 386 CA SER A 26 -8.498 4.984 -4.234 1.00 0.00 C ATOM 387 C SER A 26 -9.924 5.270 -4.721 1.00 0.00 C ATOM 388 O SER A 26 -10.529 6.259 -4.352 1.00 0.00 O ATOM 389 CB SER A 26 -7.653 6.255 -4.383 1.00 0.00 C ATOM 390 OG SER A 26 -7.902 7.121 -3.284 1.00 0.00 O ATOM 0 H SER A 26 -7.167 4.227 -5.708 1.00 0.00 H new ATOM 0 HA SER A 26 -8.512 4.671 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.595 5.998 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.896 6.758 -5.319 1.00 0.00 H new ATOM 0 HG SER A 26 -8.869 7.205 -3.146 1.00 0.00 H new ATOM 396 N LYS A 27 -10.449 4.434 -5.579 1.00 0.00 N ATOM 397 CA LYS A 27 -11.814 4.681 -6.127 1.00 0.00 C ATOM 398 C LYS A 27 -12.794 5.016 -5.000 1.00 0.00 C ATOM 399 O LYS A 27 -13.504 5.999 -5.078 1.00 0.00 O ATOM 400 CB LYS A 27 -12.310 3.455 -6.914 1.00 0.00 C ATOM 401 CG LYS A 27 -11.856 2.147 -6.244 1.00 0.00 C ATOM 402 CD LYS A 27 -12.958 1.095 -6.369 1.00 0.00 C ATOM 403 CE LYS A 27 -13.147 0.744 -7.845 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.195 -0.308 -7.977 1.00 0.00 N ATOM 0 H LYS A 27 -9.990 3.591 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.760 5.532 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.398 3.476 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.930 3.496 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.940 1.786 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.628 2.325 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.693 0.203 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.890 1.475 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.436 1.632 -8.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.207 0.391 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.323 -0.546 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.902 -1.158 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.092 0.045 -7.588 1.00 0.00 H new ATOM 418 N GLY A 28 -12.844 4.240 -3.947 1.00 0.00 N ATOM 419 CA GLY A 28 -13.785 4.582 -2.847 1.00 0.00 C ATOM 420 C GLY A 28 -14.365 3.326 -2.216 1.00 0.00 C ATOM 421 O GLY A 28 -15.280 3.400 -1.427 1.00 0.00 O ATOM 0 H GLY A 28 -12.283 3.400 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.266 5.168 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.592 5.205 -3.234 1.00 0.00 H new ATOM 425 N THR A 29 -13.868 2.169 -2.550 1.00 0.00 N ATOM 426 CA THR A 29 -14.441 0.946 -1.933 1.00 0.00 C ATOM 427 C THR A 29 -13.460 -0.235 -2.029 1.00 0.00 C ATOM 428 O THR A 29 -12.701 -0.356 -2.970 1.00 0.00 O ATOM 429 CB THR A 29 -15.739 0.601 -2.667 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.846 1.405 -3.832 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.949 0.855 -1.760 1.00 0.00 C ATOM 0 H THR A 29 -13.105 2.019 -3.210 1.00 0.00 H new ATOM 0 HA THR A 29 -14.635 1.133 -0.877 1.00 0.00 H new ATOM 0 HB THR A 29 -15.721 -0.453 -2.943 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.675 1.186 -4.306 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.864 0.605 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.871 0.235 -0.867 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.973 1.906 -1.471 1.00 0.00 H new ATOM 439 N CYS A 30 -13.509 -1.125 -1.071 1.00 0.00 N ATOM 440 CA CYS A 30 -12.626 -2.333 -1.101 1.00 0.00 C ATOM 441 C CYS A 30 -13.038 -3.185 -2.301 1.00 0.00 C ATOM 442 O CYS A 30 -14.211 -3.326 -2.589 1.00 0.00 O ATOM 443 CB CYS A 30 -12.814 -3.143 0.193 1.00 0.00 C ATOM 444 SG CYS A 30 -11.858 -4.685 0.105 1.00 0.00 S ATOM 0 H CYS A 30 -14.128 -1.067 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.580 -2.038 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.491 -2.554 1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.870 -3.368 0.341 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.427 -5.591 0.844 1.00 0.00 H new ATOM 449 N GLN A 31 -12.104 -3.745 -3.017 1.00 0.00 N ATOM 450 CA GLN A 31 -12.489 -4.564 -4.201 1.00 0.00 C ATOM 451 C GLN A 31 -12.990 -5.937 -3.751 1.00 0.00 C ATOM 452 O GLN A 31 -13.551 -6.682 -4.529 1.00 0.00 O ATOM 453 CB GLN A 31 -11.294 -4.731 -5.140 1.00 0.00 C ATOM 454 CG GLN A 31 -10.110 -5.365 -4.398 1.00 0.00 C ATOM 455 CD GLN A 31 -10.294 -6.883 -4.294 1.00 0.00 C ATOM 456 OE1 GLN A 31 -9.560 -7.543 -3.587 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.243 -7.471 -4.972 1.00 0.00 N ATOM 0 H GLN A 31 -11.102 -3.673 -2.838 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.289 -4.050 -4.734 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.575 -5.355 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.001 -3.761 -5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.182 -5.140 -4.923 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.025 -4.934 -3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.861 -6.920 -5.567 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.366 -8.481 -4.907 1.00 0.00 H new ATOM 466 N SER A 32 -12.798 -6.278 -2.506 1.00 0.00 N ATOM 467 CA SER A 32 -13.270 -7.604 -2.012 1.00 0.00 C ATOM 468 C SER A 32 -14.397 -7.399 -0.998 1.00 0.00 C ATOM 469 O SER A 32 -15.122 -8.318 -0.670 1.00 0.00 O ATOM 470 CB SER A 32 -12.111 -8.343 -1.346 1.00 0.00 C ATOM 471 OG SER A 32 -11.149 -8.692 -2.331 1.00 0.00 O ATOM 0 H SER A 32 -12.334 -5.696 -1.809 1.00 0.00 H new ATOM 0 HA SER A 32 -13.640 -8.193 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.654 -7.714 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.476 -9.239 -0.844 1.00 0.00 H new ATOM 0 HG SER A 32 -10.381 -8.087 -2.267 1.00 0.00 H new ATOM 477 N CYS A 33 -14.554 -6.199 -0.499 1.00 0.00 N ATOM 478 CA CYS A 33 -15.636 -5.933 0.495 1.00 0.00 C ATOM 479 C CYS A 33 -16.491 -4.756 0.025 1.00 0.00 C ATOM 480 O CYS A 33 -17.634 -4.618 0.414 1.00 0.00 O ATOM 481 CB CYS A 33 -15.020 -5.593 1.855 1.00 0.00 C ATOM 482 SG CYS A 33 -13.858 -6.891 2.326 1.00 0.00 S ATOM 0 H CYS A 33 -13.978 -5.391 -0.738 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.257 -6.824 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.508 -4.632 1.805 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.802 -5.499 2.608 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.900 -7.064 3.614 1.00 0.00 H new ATOM 487 N GLY A 34 -15.953 -3.893 -0.796 1.00 0.00 N ATOM 488 CA GLY A 34 -16.757 -2.727 -1.257 1.00 0.00 C ATOM 489 C GLY A 34 -17.330 -2.023 -0.030 1.00 0.00 C ATOM 490 O GLY A 34 -18.518 -2.058 0.221 1.00 0.00 O ATOM 0 H GLY A 34 -15.003 -3.945 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.135 -2.041 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.561 -3.057 -1.915 1.00 0.00 H new ATOM 494 N VAL A 35 -16.482 -1.418 0.756 1.00 0.00 N ATOM 495 CA VAL A 35 -16.953 -0.743 2.003 1.00 0.00 C ATOM 496 C VAL A 35 -16.905 0.788 1.881 1.00 0.00 C ATOM 497 O VAL A 35 -17.823 1.459 2.304 1.00 0.00 O ATOM 498 CB VAL A 35 -16.075 -1.210 3.167 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.354 -2.698 3.436 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.598 -1.025 2.803 1.00 0.00 C ATOM 0 H VAL A 35 -15.477 -1.361 0.589 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.994 -1.014 2.177 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.301 -0.624 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.733 -3.041 4.264 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.405 -2.831 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.122 -3.279 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.974 -1.358 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.366 -1.613 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.402 0.028 2.602 1.00 0.00 H new ATOM 510 N THR A 36 -15.864 1.358 1.320 1.00 0.00 N ATOM 511 CA THR A 36 -15.815 2.849 1.211 1.00 0.00 C ATOM 512 C THR A 36 -14.397 3.299 0.863 1.00 0.00 C ATOM 513 O THR A 36 -13.515 2.493 0.652 1.00 0.00 O ATOM 514 CB THR A 36 -16.227 3.493 2.544 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.692 4.808 2.612 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.688 2.666 3.719 1.00 0.00 C ATOM 0 H THR A 36 -15.058 0.863 0.938 1.00 0.00 H new ATOM 0 HA THR A 36 -16.505 3.161 0.427 1.00 0.00 H new ATOM 0 HB THR A 36 -17.315 3.529 2.603 1.00 0.00 H new ATOM 0 HG1 THR A 36 -16.312 5.436 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.986 3.132 4.658 1.00 0.00 H new ATOM 0 HG22 THR A 36 -16.094 1.656 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.600 2.622 3.665 1.00 0.00 H new ATOM 524 N GLY A 37 -14.182 4.587 0.792 1.00 0.00 N ATOM 525 CA GLY A 37 -12.832 5.117 0.444 1.00 0.00 C ATOM 526 C GLY A 37 -12.035 5.427 1.706 1.00 0.00 C ATOM 527 O GLY A 37 -11.037 4.797 1.991 1.00 0.00 O ATOM 0 H GLY A 37 -14.891 5.300 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.294 4.388 -0.162 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.934 6.019 -0.159 1.00 0.00 H new ATOM 531 N PRO A 38 -12.451 6.408 2.456 1.00 0.00 N ATOM 532 CA PRO A 38 -11.740 6.798 3.690 1.00 0.00 C ATOM 533 C PRO A 38 -11.352 5.587 4.530 1.00 0.00 C ATOM 534 O PRO A 38 -12.160 4.730 4.831 1.00 0.00 O ATOM 535 CB PRO A 38 -12.719 7.696 4.451 1.00 0.00 C ATOM 536 CG PRO A 38 -13.964 7.793 3.610 1.00 0.00 C ATOM 537 CD PRO A 38 -13.626 7.247 2.219 1.00 0.00 C ATOM 0 HA PRO A 38 -10.804 7.308 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.946 7.277 5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.288 8.683 4.619 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.775 7.221 4.059 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.302 8.827 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.452 6.671 1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.410 8.050 1.514 1.00 0.00 H new ATOM 545 N ASN A 39 -10.115 5.520 4.904 1.00 0.00 N ATOM 546 CA ASN A 39 -9.629 4.381 5.729 1.00 0.00 C ATOM 547 C ASN A 39 -9.458 3.137 4.853 1.00 0.00 C ATOM 548 O ASN A 39 -9.522 2.025 5.331 1.00 0.00 O ATOM 549 CB ASN A 39 -10.630 4.085 6.851 1.00 0.00 C ATOM 550 CG ASN A 39 -9.878 3.746 8.143 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.424 2.634 8.320 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.726 4.667 9.054 1.00 0.00 N ATOM 0 H ASN A 39 -9.405 6.214 4.672 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.667 4.647 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.276 4.948 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.274 3.253 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.225 4.453 9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.108 5.601 8.904 1.00 0.00 H new ATOM 559 N LEU A 40 -9.230 3.308 3.580 1.00 0.00 N ATOM 560 CA LEU A 40 -9.043 2.115 2.705 1.00 0.00 C ATOM 561 C LEU A 40 -7.592 1.641 2.831 1.00 0.00 C ATOM 562 O LEU A 40 -6.786 2.249 3.504 1.00 0.00 O ATOM 563 CB LEU A 40 -9.326 2.476 1.235 1.00 0.00 C ATOM 564 CG LEU A 40 -10.790 2.197 0.843 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.921 2.343 -0.674 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.200 0.769 1.237 1.00 0.00 C ATOM 0 H LEU A 40 -9.165 4.212 3.111 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.734 1.330 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.101 3.530 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.662 1.904 0.587 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.437 2.903 1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.952 2.149 -0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.644 3.355 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.261 1.629 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.237 0.596 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.558 0.052 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.096 0.645 2.315 1.00 0.00 H new ATOM 578 N TRP A 41 -7.257 0.567 2.180 1.00 0.00 N ATOM 579 CA TRP A 41 -5.858 0.057 2.247 1.00 0.00 C ATOM 580 C TRP A 41 -5.625 -0.904 1.079 1.00 0.00 C ATOM 581 O TRP A 41 -5.925 -2.079 1.157 1.00 0.00 O ATOM 582 CB TRP A 41 -5.630 -0.662 3.585 1.00 0.00 C ATOM 583 CG TRP A 41 -4.439 -0.074 4.279 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.208 0.054 3.733 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.346 0.470 5.629 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.366 0.640 4.661 1.00 0.00 N ATOM 587 CE2 TRP A 41 -3.020 0.915 5.846 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.272 0.616 6.677 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.629 1.486 7.058 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.883 1.191 7.897 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.564 1.625 8.086 1.00 0.00 C ATOM 0 H TRP A 41 -7.892 0.016 1.602 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.155 0.887 2.178 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.514 -0.566 4.215 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.474 -1.727 3.414 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.928 -0.251 2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.381 0.844 4.491 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.291 0.283 6.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.611 1.818 7.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.604 1.299 8.694 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.271 2.067 9.027 1.00 0.00 H new ATOM 602 N ALA A 42 -5.114 -0.406 -0.012 1.00 0.00 N ATOM 603 CA ALA A 42 -4.885 -1.279 -1.192 1.00 0.00 C ATOM 604 C ALA A 42 -3.473 -1.860 -1.180 1.00 0.00 C ATOM 605 O ALA A 42 -2.517 -1.200 -0.831 1.00 0.00 O ATOM 606 CB ALA A 42 -5.074 -0.456 -2.465 1.00 0.00 C ATOM 0 H ALA A 42 -4.845 0.570 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.599 -2.102 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.908 -1.090 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.089 -0.058 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.361 0.368 -2.475 1.00 0.00 H new ATOM 612 N CYS A 43 -3.342 -3.091 -1.587 1.00 0.00 N ATOM 613 CA CYS A 43 -2.000 -3.730 -1.636 1.00 0.00 C ATOM 614 C CYS A 43 -1.136 -2.962 -2.633 1.00 0.00 C ATOM 615 O CYS A 43 -1.643 -2.365 -3.561 1.00 0.00 O ATOM 616 CB CYS A 43 -2.156 -5.177 -2.099 1.00 0.00 C ATOM 617 SG CYS A 43 -0.673 -6.118 -1.667 1.00 0.00 S ATOM 0 H CYS A 43 -4.113 -3.686 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.532 -3.714 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.032 -5.626 -1.632 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.318 -5.209 -3.176 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.618 -7.197 -2.390 1.00 0.00 H new ATOM 622 N LEU A 44 0.159 -2.951 -2.453 1.00 0.00 N ATOM 623 CA LEU A 44 1.023 -2.193 -3.405 1.00 0.00 C ATOM 624 C LEU A 44 2.220 -3.048 -3.845 1.00 0.00 C ATOM 625 O LEU A 44 3.312 -2.552 -4.010 1.00 0.00 O ATOM 626 CB LEU A 44 1.511 -0.908 -2.712 1.00 0.00 C ATOM 627 CG LEU A 44 2.464 -0.104 -3.620 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.979 -0.127 -5.074 1.00 0.00 C ATOM 629 CD2 LEU A 44 2.511 1.348 -3.138 1.00 0.00 C ATOM 0 H LEU A 44 0.651 -3.428 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 44 0.448 -1.938 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.654 -0.290 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.021 -1.165 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 44 3.455 -0.556 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.666 0.446 -5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.942 -1.157 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.984 0.313 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.183 1.922 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.511 1.779 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.872 1.379 -2.110 1.00 0.00 H new ATOM 641 N GLN A 45 2.033 -4.328 -4.055 1.00 0.00 N ATOM 642 CA GLN A 45 3.186 -5.168 -4.498 1.00 0.00 C ATOM 643 C GLN A 45 3.286 -5.117 -6.028 1.00 0.00 C ATOM 644 O GLN A 45 2.291 -5.089 -6.725 1.00 0.00 O ATOM 645 CB GLN A 45 3.001 -6.620 -4.035 1.00 0.00 C ATOM 646 CG GLN A 45 2.302 -6.661 -2.667 1.00 0.00 C ATOM 647 CD GLN A 45 3.328 -6.986 -1.576 1.00 0.00 C ATOM 648 OE1 GLN A 45 4.093 -7.921 -1.705 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.378 -6.245 -0.503 1.00 0.00 N ATOM 0 H GLN A 45 1.147 -4.820 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 45 4.103 -4.780 -4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.411 -7.170 -4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.970 -7.114 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.828 -5.701 -2.460 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.512 -7.412 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.736 -5.460 -0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.059 -6.451 0.228 1.00 0.00 H new ATOM 658 N VAL A 46 4.483 -5.084 -6.551 1.00 0.00 N ATOM 659 CA VAL A 46 4.663 -5.014 -8.036 1.00 0.00 C ATOM 660 C VAL A 46 3.766 -6.032 -8.751 1.00 0.00 C ATOM 661 O VAL A 46 3.685 -6.037 -9.963 1.00 0.00 O ATOM 662 CB VAL A 46 6.127 -5.301 -8.396 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.598 -6.577 -7.690 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.261 -5.481 -9.913 1.00 0.00 C ATOM 0 H VAL A 46 5.349 -5.102 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 46 4.385 -4.011 -8.361 1.00 0.00 H new ATOM 0 HB VAL A 46 6.742 -4.461 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.638 -6.774 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.512 -6.449 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.979 -7.417 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.302 -5.685 -10.165 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.639 -6.316 -10.237 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.937 -4.571 -10.417 1.00 0.00 H new ATOM 674 N ALA A 47 3.102 -6.900 -8.036 1.00 0.00 N ATOM 675 CA ALA A 47 2.237 -7.905 -8.724 1.00 0.00 C ATOM 676 C ALA A 47 0.968 -8.170 -7.913 1.00 0.00 C ATOM 677 O ALA A 47 0.547 -9.300 -7.764 1.00 0.00 O ATOM 678 CB ALA A 47 3.015 -9.213 -8.883 1.00 0.00 C ATOM 0 H ALA A 47 3.119 -6.958 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 47 1.953 -7.514 -9.701 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.388 -9.950 -9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.911 -9.034 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.301 -9.588 -7.900 1.00 0.00 H new ATOM 684 N CYS A 48 0.345 -7.148 -7.390 1.00 0.00 N ATOM 685 CA CYS A 48 -0.899 -7.374 -6.599 1.00 0.00 C ATOM 686 C CYS A 48 -1.850 -6.183 -6.743 1.00 0.00 C ATOM 687 O CYS A 48 -1.907 -5.323 -5.887 1.00 0.00 O ATOM 688 CB CYS A 48 -0.539 -7.549 -5.128 1.00 0.00 C ATOM 689 SG CYS A 48 -1.891 -8.399 -4.284 1.00 0.00 S ATOM 0 H CYS A 48 0.640 -6.175 -7.475 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.393 -8.270 -6.974 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.383 -8.122 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.360 -6.578 -4.667 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.966 -7.671 -4.345 1.00 0.00 H new ATOM 694 N PRO A 49 -2.603 -6.138 -7.808 1.00 0.00 N ATOM 695 CA PRO A 49 -3.577 -5.045 -8.048 1.00 0.00 C ATOM 696 C PRO A 49 -4.937 -5.342 -7.404 1.00 0.00 C ATOM 697 O PRO A 49 -5.736 -6.082 -7.941 1.00 0.00 O ATOM 698 CB PRO A 49 -3.692 -5.028 -9.570 1.00 0.00 C ATOM 699 CG PRO A 49 -3.471 -6.450 -9.993 1.00 0.00 C ATOM 700 CD PRO A 49 -2.610 -7.116 -8.905 1.00 0.00 C ATOM 0 HA PRO A 49 -3.261 -4.094 -7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.671 -4.670 -9.888 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.950 -4.364 -10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.422 -6.971 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.970 -6.491 -10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.034 -8.068 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.601 -7.320 -9.264 1.00 0.00 H new ATOM 708 N TYR A 50 -5.202 -4.761 -6.263 1.00 0.00 N ATOM 709 CA TYR A 50 -6.503 -4.991 -5.571 1.00 0.00 C ATOM 710 C TYR A 50 -6.594 -4.018 -4.394 1.00 0.00 C ATOM 711 O TYR A 50 -5.641 -3.844 -3.660 1.00 0.00 O ATOM 712 CB TYR A 50 -6.565 -6.427 -5.036 1.00 0.00 C ATOM 713 CG TYR A 50 -6.798 -7.395 -6.173 1.00 0.00 C ATOM 714 CD1 TYR A 50 -7.997 -7.353 -6.897 1.00 0.00 C ATOM 715 CD2 TYR A 50 -5.813 -8.334 -6.506 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.210 -8.250 -7.950 1.00 0.00 C ATOM 717 CE2 TYR A 50 -6.027 -9.231 -7.560 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.226 -9.189 -8.281 1.00 0.00 C ATOM 719 OH TYR A 50 -7.437 -10.072 -9.320 1.00 0.00 O ATOM 0 H TYR A 50 -4.565 -4.130 -5.777 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.326 -4.835 -6.268 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.635 -6.673 -4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.366 -6.516 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.757 -6.629 -6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.888 -8.366 -5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.134 -8.218 -8.508 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.267 -9.955 -7.816 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.655 -10.655 -9.418 1.00 0.00 H new ATOM 729 N VAL A 51 -7.717 -3.377 -4.202 1.00 0.00 N ATOM 730 CA VAL A 51 -7.830 -2.418 -3.065 1.00 0.00 C ATOM 731 C VAL A 51 -8.599 -3.063 -1.911 1.00 0.00 C ATOM 732 O VAL A 51 -9.794 -3.263 -1.974 1.00 0.00 O ATOM 733 CB VAL A 51 -8.525 -1.136 -3.534 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.691 -1.488 -4.458 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.037 -0.340 -2.327 1.00 0.00 C ATOM 0 H VAL A 51 -8.553 -3.475 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.832 -2.160 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.807 -0.524 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.182 -0.573 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.317 -2.033 -5.325 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.407 -2.110 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.529 0.569 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.748 -0.947 -1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.198 -0.076 -1.683 1.00 0.00 H new ATOM 745 N GLY A 52 -7.905 -3.392 -0.857 1.00 0.00 N ATOM 746 CA GLY A 52 -8.562 -4.035 0.315 1.00 0.00 C ATOM 747 C GLY A 52 -9.136 -2.969 1.252 1.00 0.00 C ATOM 748 O GLY A 52 -9.133 -1.794 0.949 1.00 0.00 O ATOM 0 H GLY A 52 -6.901 -3.241 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.358 -4.698 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.841 -4.651 0.852 1.00 0.00 H new ATOM 752 N CYS A 53 -9.633 -3.383 2.388 1.00 0.00 N ATOM 753 CA CYS A 53 -10.220 -2.415 3.359 1.00 0.00 C ATOM 754 C CYS A 53 -9.219 -2.090 4.445 1.00 0.00 C ATOM 755 O CYS A 53 -8.191 -2.717 4.599 1.00 0.00 O ATOM 756 CB CYS A 53 -11.412 -3.043 4.101 1.00 0.00 C ATOM 757 SG CYS A 53 -11.318 -4.846 3.995 1.00 0.00 S ATOM 0 H CYS A 53 -9.657 -4.358 2.686 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.513 -1.536 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.408 -2.730 5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.348 -2.692 3.667 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.353 -5.297 3.350 1.00 0.00 H new ATOM 762 N GLY A 54 -9.599 -1.157 5.250 1.00 0.00 N ATOM 763 CA GLY A 54 -8.805 -0.784 6.433 1.00 0.00 C ATOM 764 C GLY A 54 -9.732 -1.089 7.595 1.00 0.00 C ATOM 765 O GLY A 54 -10.921 -1.226 7.391 1.00 0.00 O ATOM 0 H GLY A 54 -10.457 -0.619 5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.882 -1.360 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.523 0.269 6.411 1.00 0.00 H new ATOM 769 N GLU A 55 -9.241 -1.236 8.787 1.00 0.00 N ATOM 770 CA GLU A 55 -10.160 -1.561 9.925 1.00 0.00 C ATOM 771 C GLU A 55 -11.567 -1.086 9.607 1.00 0.00 C ATOM 772 O GLU A 55 -12.542 -1.742 9.915 1.00 0.00 O ATOM 773 CB GLU A 55 -9.683 -0.862 11.186 1.00 0.00 C ATOM 774 CG GLU A 55 -9.893 0.650 11.053 1.00 0.00 C ATOM 775 CD GLU A 55 -9.078 1.375 12.125 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.709 2.514 11.893 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.838 0.779 13.162 1.00 0.00 O ATOM 0 H GLU A 55 -8.254 -1.148 9.030 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.161 -2.640 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.229 -1.239 12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.628 -1.078 11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.588 0.984 10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.950 0.892 11.160 1.00 0.00 H new ATOM 784 N SER A 56 -11.668 0.044 8.967 1.00 0.00 N ATOM 785 CA SER A 56 -13.002 0.580 8.579 1.00 0.00 C ATOM 786 C SER A 56 -13.963 -0.589 8.378 1.00 0.00 C ATOM 787 O SER A 56 -15.096 -0.563 8.815 1.00 0.00 O ATOM 788 CB SER A 56 -12.858 1.353 7.268 1.00 0.00 C ATOM 789 OG SER A 56 -13.094 2.733 7.515 1.00 0.00 O ATOM 0 H SER A 56 -10.876 0.625 8.693 1.00 0.00 H new ATOM 0 HA SER A 56 -13.386 1.241 9.356 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.860 1.210 6.855 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.566 0.976 6.529 1.00 0.00 H new ATOM 0 HG SER A 56 -13.471 3.149 6.712 1.00 0.00 H new ATOM 795 N PHE A 57 -13.499 -1.627 7.730 1.00 0.00 N ATOM 796 CA PHE A 57 -14.367 -2.822 7.511 1.00 0.00 C ATOM 797 C PHE A 57 -13.751 -4.033 8.199 1.00 0.00 C ATOM 798 O PHE A 57 -13.966 -4.286 9.367 1.00 0.00 O ATOM 799 CB PHE A 57 -14.488 -3.122 6.022 1.00 0.00 C ATOM 800 CG PHE A 57 -15.310 -4.380 5.836 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.645 -4.413 6.264 1.00 0.00 C ATOM 802 CD2 PHE A 57 -14.740 -5.513 5.244 1.00 0.00 C ATOM 803 CE1 PHE A 57 -17.405 -5.577 6.099 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.502 -6.677 5.078 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.834 -6.708 5.506 1.00 0.00 C ATOM 0 H PHE A 57 -12.558 -1.698 7.344 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.354 -2.613 7.923 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.959 -2.285 5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.499 -3.251 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.087 -3.540 6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.712 -5.490 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.433 -5.602 6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.061 -7.550 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.421 -7.605 5.378 1.00 0.00 H new ATOM 815 N ALA A 58 -12.976 -4.773 7.464 1.00 0.00 N ATOM 816 CA ALA A 58 -12.309 -5.981 8.029 1.00 0.00 C ATOM 817 C ALA A 58 -10.803 -5.796 7.895 1.00 0.00 C ATOM 818 O ALA A 58 -10.015 -6.629 8.299 1.00 0.00 O ATOM 819 CB ALA A 58 -12.747 -7.220 7.244 1.00 0.00 C ATOM 0 H ALA A 58 -12.771 -4.592 6.481 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.582 -6.112 9.076 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.260 -8.103 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.828 -7.334 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.465 -7.106 6.197 1.00 0.00 H new ATOM 825 N ASP A 59 -10.405 -4.694 7.324 1.00 0.00 N ATOM 826 CA ASP A 59 -8.959 -4.413 7.142 1.00 0.00 C ATOM 827 C ASP A 59 -8.287 -5.565 6.400 1.00 0.00 C ATOM 828 O ASP A 59 -7.399 -6.209 6.923 1.00 0.00 O ATOM 829 CB ASP A 59 -8.289 -4.223 8.506 1.00 0.00 C ATOM 830 CG ASP A 59 -6.798 -3.952 8.309 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.002 -4.701 8.848 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.478 -2.993 7.626 1.00 0.00 O ATOM 0 H ASP A 59 -11.030 -3.969 6.972 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.852 -3.501 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.753 -3.393 9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.430 -5.113 9.119 1.00 0.00 H new ATOM 837 N HIS A 60 -8.676 -5.819 5.173 1.00 0.00 N ATOM 838 CA HIS A 60 -8.014 -6.917 4.409 1.00 0.00 C ATOM 839 C HIS A 60 -6.510 -6.758 4.615 1.00 0.00 C ATOM 840 O HIS A 60 -5.744 -7.683 4.503 1.00 0.00 O ATOM 841 CB HIS A 60 -8.336 -6.783 2.909 1.00 0.00 C ATOM 842 CG HIS A 60 -9.299 -7.857 2.474 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.173 -9.223 2.422 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.585 -7.574 2.009 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.348 -9.781 1.940 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.165 -8.753 1.709 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.413 -5.320 4.675 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.363 -7.891 4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.765 -5.801 2.710 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.417 -6.854 2.327 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.031 -6.595 1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.557 -10.829 1.784 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.115 -8.847 1.349 1.00 0.00 H new ATOM 854 N SER A 61 -6.103 -5.563 4.925 1.00 0.00 N ATOM 855 CA SER A 61 -4.660 -5.283 5.154 1.00 0.00 C ATOM 856 C SER A 61 -4.028 -6.387 6.003 1.00 0.00 C ATOM 857 O SER A 61 -2.862 -6.698 5.858 1.00 0.00 O ATOM 858 CB SER A 61 -4.537 -3.945 5.886 1.00 0.00 C ATOM 859 OG SER A 61 -3.301 -3.331 5.542 1.00 0.00 O ATOM 0 H SER A 61 -6.717 -4.756 5.031 1.00 0.00 H new ATOM 0 HA SER A 61 -4.141 -5.244 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.367 -3.293 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.591 -4.101 6.963 1.00 0.00 H new ATOM 0 HG SER A 61 -2.709 -3.329 6.323 1.00 0.00 H new ATOM 865 N THR A 62 -4.774 -6.975 6.896 1.00 0.00 N ATOM 866 CA THR A 62 -4.192 -8.041 7.753 1.00 0.00 C ATOM 867 C THR A 62 -4.342 -9.402 7.088 1.00 0.00 C ATOM 868 O THR A 62 -3.373 -10.044 6.749 1.00 0.00 O ATOM 869 CB THR A 62 -4.927 -8.088 9.088 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.723 -6.923 9.236 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.923 -8.178 10.241 1.00 0.00 C ATOM 0 H THR A 62 -5.757 -6.764 7.068 1.00 0.00 H new ATOM 0 HA THR A 62 -3.136 -7.815 7.903 1.00 0.00 H new ATOM 0 HB THR A 62 -5.568 -8.970 9.108 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.172 -6.128 9.078 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.460 -8.211 11.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.324 -9.082 10.132 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.270 -7.305 10.224 1.00 0.00 H new ATOM 879 N ILE A 63 -5.556 -9.863 6.930 1.00 0.00 N ATOM 880 CA ILE A 63 -5.755 -11.203 6.325 1.00 0.00 C ATOM 881 C ILE A 63 -5.111 -11.235 4.941 1.00 0.00 C ATOM 882 O ILE A 63 -4.578 -12.239 4.511 1.00 0.00 O ATOM 883 CB ILE A 63 -7.239 -11.526 6.207 1.00 0.00 C ATOM 884 CG1 ILE A 63 -7.960 -10.329 5.607 1.00 0.00 C ATOM 885 CG2 ILE A 63 -7.813 -11.834 7.592 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.315 -10.766 5.053 1.00 0.00 C ATOM 0 H ILE A 63 -6.409 -9.370 7.193 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.289 -11.950 6.967 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.375 -12.397 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.098 -9.558 6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.356 -9.890 4.813 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.875 -12.064 7.503 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.291 -12.689 8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.683 -10.968 8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.828 -9.905 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.166 -11.521 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.919 -11.184 5.858 1.00 0.00 H new ATOM 898 N HIS A 64 -5.154 -10.138 4.244 1.00 0.00 N ATOM 899 CA HIS A 64 -4.541 -10.086 2.888 1.00 0.00 C ATOM 900 C HIS A 64 -3.021 -10.121 3.024 1.00 0.00 C ATOM 901 O HIS A 64 -2.341 -10.829 2.308 1.00 0.00 O ATOM 902 CB HIS A 64 -4.951 -8.799 2.169 1.00 0.00 C ATOM 903 CG HIS A 64 -4.312 -8.780 0.813 1.00 0.00 C ATOM 904 ND1 HIS A 64 -3.025 -8.527 0.417 1.00 0.00 N flip ATOM 905 CD2 HIS A 64 -5.017 -9.071 -0.345 1.00 0.00 C flip ATOM 906 CE1 HIS A 64 -2.926 -8.661 -0.961 1.00 0.00 C flip ATOM 907 NE2 HIS A 64 -4.154 -8.989 -1.373 1.00 0.00 N flip ATOM 0 H HIS A 64 -5.589 -9.270 4.555 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.887 -10.942 2.309 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.036 -8.748 2.076 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.639 -7.928 2.746 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -2.257 -8.278 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.066 -9.318 -0.409 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.044 -8.528 -1.570 1.00 0.00 H new ATOM 915 N ALA A 65 -2.478 -9.382 3.955 1.00 0.00 N ATOM 916 CA ALA A 65 -0.999 -9.409 4.143 1.00 0.00 C ATOM 917 C ALA A 65 -0.668 -10.722 4.834 1.00 0.00 C ATOM 918 O ALA A 65 0.443 -11.203 4.825 1.00 0.00 O ATOM 919 CB ALA A 65 -0.564 -8.234 5.022 1.00 0.00 C ATOM 0 H ALA A 65 -2.989 -8.767 4.588 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.481 -9.327 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.518 -8.260 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.848 -7.297 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.051 -8.307 5.994 1.00 0.00 H new ATOM 925 N GLN A 66 -1.661 -11.276 5.449 1.00 0.00 N ATOM 926 CA GLN A 66 -1.529 -12.552 6.191 1.00 0.00 C ATOM 927 C GLN A 66 -1.646 -13.743 5.231 1.00 0.00 C ATOM 928 O GLN A 66 -1.031 -14.773 5.425 1.00 0.00 O ATOM 929 CB GLN A 66 -2.700 -12.567 7.165 1.00 0.00 C ATOM 930 CG GLN A 66 -2.913 -13.941 7.802 1.00 0.00 C ATOM 931 CD GLN A 66 -2.129 -14.033 9.114 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.173 -14.778 9.214 1.00 0.00 O ATOM 933 NE2 GLN A 66 -2.496 -13.304 10.133 1.00 0.00 N ATOM 0 H GLN A 66 -2.601 -10.880 5.470 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.565 -12.629 6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.526 -11.830 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.608 -12.268 6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.974 -14.104 7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.587 -14.724 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.298 -12.679 10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.981 -13.360 11.012 1.00 0.00 H new ATOM 942 N ALA A 67 -2.453 -13.615 4.216 1.00 0.00 N ATOM 943 CA ALA A 67 -2.648 -14.740 3.261 1.00 0.00 C ATOM 944 C ALA A 67 -1.615 -14.657 2.140 1.00 0.00 C ATOM 945 O ALA A 67 -1.028 -15.644 1.744 1.00 0.00 O ATOM 946 CB ALA A 67 -4.060 -14.660 2.666 1.00 0.00 C ATOM 0 H ALA A 67 -2.990 -12.773 4.006 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.524 -15.686 3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.207 -15.482 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.797 -14.729 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.181 -13.712 2.142 1.00 0.00 H new ATOM 952 N LYS A 68 -1.401 -13.482 1.621 1.00 0.00 N ATOM 953 CA LYS A 68 -0.418 -13.320 0.513 1.00 0.00 C ATOM 954 C LYS A 68 0.911 -12.837 1.082 1.00 0.00 C ATOM 955 O LYS A 68 1.831 -12.505 0.361 1.00 0.00 O ATOM 956 CB LYS A 68 -0.960 -12.301 -0.485 1.00 0.00 C ATOM 957 CG LYS A 68 -2.363 -12.731 -0.945 1.00 0.00 C ATOM 958 CD LYS A 68 -3.431 -12.049 -0.085 1.00 0.00 C ATOM 959 CE LYS A 68 -4.807 -12.261 -0.719 1.00 0.00 C ATOM 960 NZ LYS A 68 -4.852 -11.577 -2.042 1.00 0.00 N ATOM 0 H LYS A 68 -1.865 -12.623 1.917 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.262 -14.274 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.003 -11.313 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.292 -12.225 -1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.507 -12.469 -1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.462 -13.814 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.417 -12.459 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.218 -10.983 0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.003 -13.326 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.585 -11.866 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.831 -11.301 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.251 -10.729 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.505 -12.224 -2.779 1.00 0.00 H new ATOM 974 N LYS A 69 1.013 -12.805 2.376 1.00 0.00 N ATOM 975 CA LYS A 69 2.273 -12.359 3.026 1.00 0.00 C ATOM 976 C LYS A 69 2.721 -11.011 2.448 1.00 0.00 C ATOM 977 O LYS A 69 3.848 -10.596 2.633 1.00 0.00 O ATOM 978 CB LYS A 69 3.369 -13.412 2.806 1.00 0.00 C ATOM 979 CG LYS A 69 2.748 -14.812 2.656 1.00 0.00 C ATOM 980 CD LYS A 69 1.679 -15.054 3.739 1.00 0.00 C ATOM 981 CE LYS A 69 1.773 -16.498 4.240 1.00 0.00 C ATOM 982 NZ LYS A 69 1.940 -17.417 3.079 1.00 0.00 N ATOM 0 H LYS A 69 0.269 -13.072 3.020 1.00 0.00 H new ATOM 0 HA LYS A 69 2.097 -12.240 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.945 -13.165 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.064 -13.404 3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.300 -14.912 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.527 -15.571 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.823 -14.361 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.686 -14.863 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.615 -16.603 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.874 -16.760 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.484 -18.328 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.500 -16.995 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.953 -17.570 2.900 1.00 0.00 H new ATOM 996 N HIS A 70 1.846 -10.307 1.778 1.00 0.00 N ATOM 997 CA HIS A 70 2.237 -8.973 1.230 1.00 0.00 C ATOM 998 C HIS A 70 2.328 -8.001 2.408 1.00 0.00 C ATOM 999 O HIS A 70 1.364 -7.784 3.116 1.00 0.00 O ATOM 1000 CB HIS A 70 1.182 -8.499 0.226 1.00 0.00 C ATOM 1001 CG HIS A 70 1.262 -9.356 -1.010 1.00 0.00 C ATOM 1002 ND1 HIS A 70 0.161 -9.593 -1.822 1.00 0.00 N ATOM 1003 CD2 HIS A 70 2.306 -10.043 -1.588 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.564 -10.390 -2.829 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.859 -10.691 -2.731 1.00 0.00 N ATOM 0 H HIS A 70 0.886 -10.594 1.587 1.00 0.00 H new ATOM 0 HA HIS A 70 3.195 -9.029 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.187 -8.565 0.666 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.349 -7.453 -0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.317 -10.073 -1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.082 -10.742 -3.619 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.406 -11.275 -3.363 1.00 0.00 H new ATOM 1013 N ASN A 71 3.483 -7.441 2.655 1.00 0.00 N ATOM 1014 CA ASN A 71 3.628 -6.523 3.818 1.00 0.00 C ATOM 1015 C ASN A 71 3.268 -5.087 3.438 1.00 0.00 C ATOM 1016 O ASN A 71 2.643 -4.376 4.198 1.00 0.00 O ATOM 1017 CB ASN A 71 5.075 -6.563 4.308 1.00 0.00 C ATOM 1018 CG ASN A 71 6.035 -6.345 3.134 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.568 -6.308 1.916 1.00 0.00 O flip ATOM 1020 ND2 ASN A 71 7.225 -6.207 3.329 1.00 0.00 N flip ATOM 0 H ASN A 71 4.329 -7.580 2.102 1.00 0.00 H new ATOM 0 HA ASN A 71 2.948 -6.852 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.232 -5.794 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.280 -7.523 4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.593 -6.235 4.280 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.857 -6.063 2.542 1.00 0.00 H new ATOM 1027 N LEU A 72 3.689 -4.641 2.292 1.00 0.00 N ATOM 1028 CA LEU A 72 3.418 -3.232 1.896 1.00 0.00 C ATOM 1029 C LEU A 72 2.018 -3.039 1.313 1.00 0.00 C ATOM 1030 O LEU A 72 1.558 -3.778 0.462 1.00 0.00 O ATOM 1031 CB LEU A 72 4.455 -2.806 0.865 1.00 0.00 C ATOM 1032 CG LEU A 72 5.819 -2.690 1.551 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.926 -2.973 0.542 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.997 -1.277 2.119 1.00 0.00 C ATOM 0 H LEU A 72 4.210 -5.191 1.609 1.00 0.00 H new ATOM 0 HA LEU A 72 3.478 -2.618 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.501 -3.533 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.174 -1.851 0.421 1.00 0.00 H new ATOM 0 HG LEU A 72 5.872 -3.415 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.896 -2.890 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.806 -3.980 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.869 -2.251 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.969 -1.200 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.938 -0.549 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.210 -1.075 2.846 1.00 0.00 H new ATOM 1046 N THR A 73 1.370 -2.002 1.759 1.00 0.00 N ATOM 1047 CA THR A 73 0.014 -1.646 1.262 1.00 0.00 C ATOM 1048 C THR A 73 -0.096 -0.126 1.364 1.00 0.00 C ATOM 1049 O THR A 73 0.624 0.485 2.123 1.00 0.00 O ATOM 1050 CB THR A 73 -1.058 -2.309 2.135 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.115 -1.650 3.392 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.713 -3.784 2.345 1.00 0.00 C ATOM 0 H THR A 73 1.736 -1.367 2.469 1.00 0.00 H new ATOM 0 HA THR A 73 -0.134 -1.987 0.238 1.00 0.00 H new ATOM 0 HB THR A 73 -2.026 -2.234 1.639 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.029 -1.338 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.477 -4.252 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.671 -4.289 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.255 -3.864 2.839 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.955 0.503 0.607 1.00 0.00 N ATOM 1061 CA VAL A 74 -1.037 1.995 0.683 1.00 0.00 C ATOM 1062 C VAL A 74 -2.440 2.444 1.083 1.00 0.00 C ATOM 1063 O VAL A 74 -3.424 2.115 0.451 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.664 2.594 -0.680 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.381 1.829 -1.796 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -1.080 4.068 -0.733 1.00 0.00 C ATOM 0 H VAL A 74 -1.595 0.059 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.339 2.346 1.443 1.00 0.00 H new ATOM 0 HB VAL A 74 0.414 2.515 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.113 2.258 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.082 0.781 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.459 1.903 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.812 4.487 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.157 4.147 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.567 4.620 0.055 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.519 3.208 2.141 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.833 3.711 2.619 1.00 0.00 C ATOM 1078 C ASN A 75 -4.270 4.878 1.740 1.00 0.00 C ATOM 1079 O ASN A 75 -3.745 5.971 1.831 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.702 4.184 4.068 1.00 0.00 C ATOM 1081 CG ASN A 75 -5.091 4.476 4.635 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -6.117 4.501 3.829 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -5.245 4.683 5.822 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.718 3.506 2.698 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.574 2.913 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.206 3.421 4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.082 5.080 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.443 4.663 6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.177 4.876 6.189 1.00 0.00 H new ATOM 1090 N LEU A 76 -5.228 4.657 0.890 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.704 5.750 0.002 1.00 0.00 C ATOM 1092 C LEU A 76 -6.426 6.789 0.854 1.00 0.00 C ATOM 1093 O LEU A 76 -7.022 7.722 0.353 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.654 5.168 -1.052 1.00 0.00 C ATOM 1095 CG LEU A 76 -6.100 3.816 -1.565 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -7.231 2.780 -1.716 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.396 4.015 -2.917 1.00 0.00 C ATOM 0 H LEU A 76 -5.705 3.763 0.771 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.864 6.222 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.646 5.026 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.763 5.866 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.383 3.442 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.817 1.839 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.708 2.619 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.969 3.149 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.010 3.059 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.107 4.409 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.572 4.718 -2.798 1.00 0.00 H new ATOM 1109 N THR A 77 -6.356 6.635 2.145 1.00 0.00 N ATOM 1110 CA THR A 77 -7.013 7.604 3.058 1.00 0.00 C ATOM 1111 C THR A 77 -5.988 8.651 3.477 1.00 0.00 C ATOM 1112 O THR A 77 -6.301 9.813 3.645 1.00 0.00 O ATOM 1113 CB THR A 77 -7.508 6.868 4.300 1.00 0.00 C ATOM 1114 OG1 THR A 77 -8.269 5.742 3.895 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.365 7.812 5.147 1.00 0.00 C ATOM 0 H THR A 77 -5.866 5.871 2.610 1.00 0.00 H new ATOM 0 HA THR A 77 -7.854 8.080 2.554 1.00 0.00 H new ATOM 0 HB THR A 77 -6.661 6.533 4.899 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.665 5.009 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.718 7.286 6.034 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.768 8.673 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.220 8.151 4.562 1.00 0.00 H new ATOM 1123 N THR A 78 -4.766 8.233 3.668 1.00 0.00 N ATOM 1124 CA THR A 78 -3.704 9.192 4.102 1.00 0.00 C ATOM 1125 C THR A 78 -2.599 9.326 3.045 1.00 0.00 C ATOM 1126 O THR A 78 -1.820 10.257 3.080 1.00 0.00 O ATOM 1127 CB THR A 78 -3.095 8.700 5.420 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.003 7.282 5.393 1.00 0.00 O ATOM 1129 CG2 THR A 78 -3.978 9.133 6.591 1.00 0.00 C ATOM 0 H THR A 78 -4.455 7.270 3.543 1.00 0.00 H new ATOM 0 HA THR A 78 -4.160 10.173 4.236 1.00 0.00 H new ATOM 0 HB THR A 78 -2.101 9.130 5.543 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.242 6.922 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.541 8.781 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.049 10.221 6.610 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.974 8.706 6.473 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.521 8.422 2.110 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.462 8.524 1.056 1.00 0.00 C ATOM 1139 C PHE A 79 -0.097 8.112 1.621 1.00 0.00 C ATOM 1140 O PHE A 79 0.896 8.787 1.434 1.00 0.00 O ATOM 1141 CB PHE A 79 -1.390 9.963 0.528 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.887 9.959 -0.897 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.763 9.658 -1.947 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.454 10.254 -1.169 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -1.299 9.652 -3.268 1.00 0.00 C ATOM 1146 CE2 PHE A 79 0.919 10.250 -2.489 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.043 9.949 -3.538 1.00 0.00 C ATOM 0 H PHE A 79 -3.141 7.617 2.026 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.720 7.850 0.239 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.375 10.427 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.727 10.558 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.798 9.430 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.131 10.485 -0.359 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.975 9.419 -4.078 1.00 0.00 H new ATOM 0 HE2 PHE A 79 1.954 10.479 -2.698 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.402 9.946 -4.557 1.00 0.00 H new ATOM 1157 N ARG A 80 -0.042 6.993 2.280 1.00 0.00 N ATOM 1158 CA ARG A 80 1.242 6.487 2.834 1.00 0.00 C ATOM 1159 C ARG A 80 1.216 4.971 2.686 1.00 0.00 C ATOM 1160 O ARG A 80 0.264 4.416 2.182 1.00 0.00 O ATOM 1161 CB ARG A 80 1.401 6.866 4.314 1.00 0.00 C ATOM 1162 CG ARG A 80 0.059 7.312 4.906 1.00 0.00 C ATOM 1163 CD ARG A 80 0.069 7.084 6.424 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.759 8.125 7.094 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.244 9.291 7.378 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -0.975 10.202 7.962 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.999 9.547 7.077 1.00 0.00 N ATOM 0 H ARG A 80 -0.848 6.395 2.462 1.00 0.00 H new ATOM 0 HA ARG A 80 2.083 6.929 2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.786 6.013 4.874 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.132 7.668 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.115 8.365 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.757 6.752 4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.320 6.092 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.091 7.121 6.800 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.731 7.927 7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.948 10.003 8.196 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.573 11.113 8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.570 8.836 6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.400 10.458 7.299 1.00 0.00 H new ATOM 1181 N LEU A 81 2.240 4.297 3.107 1.00 0.00 N ATOM 1182 CA LEU A 81 2.252 2.816 2.968 1.00 0.00 C ATOM 1183 C LEU A 81 2.149 2.165 4.341 1.00 0.00 C ATOM 1184 O LEU A 81 2.063 2.825 5.356 1.00 0.00 O ATOM 1185 CB LEU A 81 3.553 2.381 2.283 1.00 0.00 C ATOM 1186 CG LEU A 81 3.319 2.196 0.778 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.629 2.455 0.024 1.00 0.00 C ATOM 1188 CD2 LEU A 81 2.825 0.768 0.478 1.00 0.00 C ATOM 0 H LEU A 81 3.069 4.702 3.541 1.00 0.00 H new ATOM 0 HA LEU A 81 1.401 2.503 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.328 3.129 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.910 1.449 2.721 1.00 0.00 H new ATOM 0 HG LEU A 81 2.557 2.904 0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.465 2.324 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.965 3.474 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.389 1.752 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.665 0.656 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.572 0.047 0.810 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.888 0.589 1.006 1.00 0.00 H new ATOM 1200 N TRP A 82 2.162 0.869 4.364 1.00 0.00 N ATOM 1201 CA TRP A 82 2.073 0.130 5.646 1.00 0.00 C ATOM 1202 C TRP A 82 2.718 -1.233 5.436 1.00 0.00 C ATOM 1203 O TRP A 82 2.205 -2.070 4.720 1.00 0.00 O ATOM 1204 CB TRP A 82 0.605 -0.037 6.037 1.00 0.00 C ATOM 1205 CG TRP A 82 0.506 -0.510 7.454 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.084 0.092 8.520 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.209 -1.667 7.977 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.772 -0.625 9.661 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.022 -1.717 9.379 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.992 -2.671 7.376 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.593 -2.725 10.157 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -1.567 -3.686 8.157 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -1.369 -3.713 9.545 1.00 0.00 C ATOM 0 H TRP A 82 2.232 0.279 3.535 1.00 0.00 H new ATOM 0 HA TRP A 82 2.582 0.671 6.444 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.079 0.911 5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.121 -0.752 5.371 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.689 0.986 8.485 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.091 -0.376 10.598 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.151 -2.660 6.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.436 -2.741 11.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.166 -4.451 7.686 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.815 -4.496 10.140 1.00 0.00 H new ATOM 1224 N CYS A 83 3.852 -1.457 6.032 1.00 0.00 N ATOM 1225 CA CYS A 83 4.543 -2.754 5.843 1.00 0.00 C ATOM 1226 C CYS A 83 4.175 -3.713 6.964 1.00 0.00 C ATOM 1227 O CYS A 83 4.606 -3.548 8.077 1.00 0.00 O ATOM 1228 CB CYS A 83 6.053 -2.521 5.871 1.00 0.00 C ATOM 1229 SG CYS A 83 6.852 -3.653 4.713 1.00 0.00 S ATOM 0 H CYS A 83 4.330 -0.795 6.643 1.00 0.00 H new ATOM 0 HA CYS A 83 4.240 -3.183 4.888 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.278 -1.489 5.603 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.439 -2.680 6.878 1.00 0.00 H new ATOM 0 HG CYS A 83 8.104 -3.792 5.036 1.00 0.00 H new ATOM 1234 N TYR A 84 3.416 -4.733 6.690 1.00 0.00 N ATOM 1235 CA TYR A 84 3.097 -5.692 7.778 1.00 0.00 C ATOM 1236 C TYR A 84 4.388 -6.437 8.102 1.00 0.00 C ATOM 1237 O TYR A 84 4.433 -7.304 8.952 1.00 0.00 O ATOM 1238 CB TYR A 84 2.012 -6.678 7.325 1.00 0.00 C ATOM 1239 CG TYR A 84 1.369 -7.312 8.538 1.00 0.00 C ATOM 1240 CD1 TYR A 84 0.640 -6.522 9.435 1.00 0.00 C ATOM 1241 CD2 TYR A 84 1.504 -8.687 8.767 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.045 -7.107 10.559 1.00 0.00 C ATOM 1243 CE2 TYR A 84 0.910 -9.271 9.891 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.181 -8.482 10.787 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.406 -9.059 11.895 1.00 0.00 O ATOM 0 H TYR A 84 3.009 -4.942 5.778 1.00 0.00 H new ATOM 0 HA TYR A 84 2.716 -5.170 8.656 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.260 -6.160 6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.448 -7.447 6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.537 -5.461 9.260 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.067 -9.297 8.076 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.519 -6.498 11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.014 -10.331 10.067 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.216 -10.020 11.903 1.00 0.00 H new ATOM 1255 N ALA A 85 5.454 -6.060 7.439 1.00 0.00 N ATOM 1256 CA ALA A 85 6.773 -6.688 7.700 1.00 0.00 C ATOM 1257 C ALA A 85 7.549 -5.723 8.592 1.00 0.00 C ATOM 1258 O ALA A 85 7.719 -5.956 9.772 1.00 0.00 O ATOM 1259 CB ALA A 85 7.533 -6.908 6.391 1.00 0.00 C ATOM 0 H ALA A 85 5.460 -5.335 6.721 1.00 0.00 H new ATOM 0 HA ALA A 85 6.649 -7.660 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.497 -7.369 6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.954 -7.562 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.690 -5.950 5.896 1.00 0.00 H new ATOM 1265 N CYS A 86 7.967 -4.601 8.054 1.00 0.00 N ATOM 1266 CA CYS A 86 8.655 -3.608 8.902 1.00 0.00 C ATOM 1267 C CYS A 86 7.617 -3.163 9.921 1.00 0.00 C ATOM 1268 O CYS A 86 7.906 -2.510 10.903 1.00 0.00 O ATOM 1269 CB CYS A 86 9.105 -2.413 8.050 1.00 0.00 C ATOM 1270 SG CYS A 86 10.111 -2.997 6.662 1.00 0.00 S ATOM 0 H CYS A 86 7.858 -4.342 7.073 1.00 0.00 H new ATOM 0 HA CYS A 86 9.543 -4.022 9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.235 -1.871 7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.679 -1.715 8.660 1.00 0.00 H new ATOM 0 HG CYS A 86 9.737 -2.396 5.572 1.00 0.00 H new ATOM 1275 N GLU A 87 6.392 -3.547 9.669 1.00 0.00 N ATOM 1276 CA GLU A 87 5.272 -3.201 10.577 1.00 0.00 C ATOM 1277 C GLU A 87 5.329 -1.708 10.912 1.00 0.00 C ATOM 1278 O GLU A 87 5.524 -1.311 12.043 1.00 0.00 O ATOM 1279 CB GLU A 87 5.384 -4.067 11.833 1.00 0.00 C ATOM 1280 CG GLU A 87 4.147 -4.964 11.965 1.00 0.00 C ATOM 1281 CD GLU A 87 2.944 -4.117 12.385 1.00 0.00 C ATOM 1282 OE1 GLU A 87 1.876 -4.328 11.833 1.00 0.00 O ATOM 1283 OE2 GLU A 87 3.111 -3.274 13.251 1.00 0.00 O ATOM 0 H GLU A 87 6.122 -4.097 8.854 1.00 0.00 H new ATOM 0 HA GLU A 87 4.310 -3.396 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.284 -4.680 11.783 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.479 -3.433 12.714 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.942 -5.461 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.329 -5.746 12.702 1.00 0.00 H new ATOM 1290 N LYS A 88 5.154 -0.879 9.918 1.00 0.00 N ATOM 1291 CA LYS A 88 5.189 0.592 10.149 1.00 0.00 C ATOM 1292 C LYS A 88 4.568 1.302 8.945 1.00 0.00 C ATOM 1293 O LYS A 88 4.138 0.675 8.002 1.00 0.00 O ATOM 1294 CB LYS A 88 6.640 1.047 10.313 1.00 0.00 C ATOM 1295 CG LYS A 88 7.495 0.379 9.237 1.00 0.00 C ATOM 1296 CD LYS A 88 8.873 1.046 9.182 1.00 0.00 C ATOM 1297 CE LYS A 88 9.645 0.755 10.475 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.365 1.827 11.472 1.00 0.00 N ATOM 0 H LYS A 88 4.988 -1.160 8.952 1.00 0.00 H new ATOM 0 HA LYS A 88 4.628 0.836 11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.707 2.132 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.008 0.782 11.304 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.603 -0.684 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.003 0.458 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.432 0.675 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.761 2.122 9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.352 -0.215 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.714 0.705 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.259 2.265 11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.752 2.549 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.888 1.416 12.299 1.00 0.00 H new ATOM 1312 N GLU A 89 4.529 2.607 8.970 1.00 0.00 N ATOM 1313 CA GLU A 89 3.943 3.373 7.827 1.00 0.00 C ATOM 1314 C GLU A 89 5.084 4.023 7.044 1.00 0.00 C ATOM 1315 O GLU A 89 6.062 4.459 7.618 1.00 0.00 O ATOM 1316 CB GLU A 89 2.995 4.452 8.375 1.00 0.00 C ATOM 1317 CG GLU A 89 1.601 4.299 7.749 1.00 0.00 C ATOM 1318 CD GLU A 89 0.545 4.857 8.706 1.00 0.00 C ATOM 1319 OE1 GLU A 89 0.866 5.776 9.442 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.567 4.355 8.688 1.00 0.00 O ATOM 0 H GLU A 89 4.880 3.181 9.737 1.00 0.00 H new ATOM 0 HA GLU A 89 3.380 2.710 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.926 4.369 9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.394 5.442 8.156 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.559 4.827 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.398 3.249 7.540 1.00 0.00 H new ATOM 1327 N VAL A 90 4.991 4.082 5.740 1.00 0.00 N ATOM 1328 CA VAL A 90 6.110 4.694 4.964 1.00 0.00 C ATOM 1329 C VAL A 90 5.590 5.302 3.657 1.00 0.00 C ATOM 1330 O VAL A 90 4.633 4.846 3.085 1.00 0.00 O ATOM 1331 CB VAL A 90 7.153 3.604 4.646 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.288 3.649 5.674 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.481 2.226 4.698 1.00 0.00 C ATOM 0 H VAL A 90 4.204 3.740 5.188 1.00 0.00 H new ATOM 0 HA VAL A 90 6.564 5.487 5.558 1.00 0.00 H new ATOM 0 HB VAL A 90 7.561 3.781 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.020 2.876 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.770 4.626 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.883 3.477 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.217 1.454 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.071 2.058 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.677 2.185 3.963 1.00 0.00 H new ATOM 1343 N PHE A 91 6.239 6.318 3.173 1.00 0.00 N ATOM 1344 CA PHE A 91 5.814 6.949 1.891 1.00 0.00 C ATOM 1345 C PHE A 91 6.745 6.461 0.805 1.00 0.00 C ATOM 1346 O PHE A 91 7.753 5.839 1.078 1.00 0.00 O ATOM 1347 CB PHE A 91 5.961 8.465 1.958 1.00 0.00 C ATOM 1348 CG PHE A 91 5.103 9.019 3.070 1.00 0.00 C ATOM 1349 CD1 PHE A 91 3.832 9.530 2.783 1.00 0.00 C ATOM 1350 CD2 PHE A 91 5.579 9.023 4.388 1.00 0.00 C ATOM 1351 CE1 PHE A 91 3.036 10.044 3.813 1.00 0.00 C ATOM 1352 CE2 PHE A 91 4.782 9.538 5.416 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.511 10.049 5.130 1.00 0.00 C ATOM 0 H PHE A 91 7.054 6.745 3.613 1.00 0.00 H new ATOM 0 HA PHE A 91 4.773 6.690 1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.005 8.730 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.669 8.909 1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.466 9.528 1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.560 8.629 4.610 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.055 10.437 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.148 9.541 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.897 10.447 5.924 1.00 0.00 H new ATOM 1363 N LEU A 92 6.439 6.747 -0.424 1.00 0.00 N ATOM 1364 CA LEU A 92 7.340 6.316 -1.509 1.00 0.00 C ATOM 1365 C LEU A 92 8.771 6.693 -1.116 1.00 0.00 C ATOM 1366 O LEU A 92 9.022 7.205 -0.044 1.00 0.00 O ATOM 1367 CB LEU A 92 6.954 7.013 -2.815 1.00 0.00 C ATOM 1368 CG LEU A 92 5.437 6.880 -3.053 1.00 0.00 C ATOM 1369 CD1 LEU A 92 4.799 8.270 -3.145 1.00 0.00 C ATOM 1370 CD2 LEU A 92 5.182 6.124 -4.361 1.00 0.00 C ATOM 0 H LEU A 92 5.607 7.258 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 92 7.263 5.239 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.233 8.066 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.502 6.572 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 92 4.997 6.332 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.727 8.168 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.970 8.811 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.245 8.821 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.108 6.032 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.630 6.671 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.626 5.130 -4.299 1.00 0.00 H new ATOM 1382 N GLU A 93 9.703 6.440 -1.964 1.00 0.00 N ATOM 1383 CA GLU A 93 11.117 6.769 -1.629 1.00 0.00 C ATOM 1384 C GLU A 93 11.354 8.275 -1.784 1.00 0.00 C ATOM 1385 O GLU A 93 12.449 8.763 -1.585 1.00 0.00 O ATOM 1386 CB GLU A 93 12.066 5.982 -2.538 1.00 0.00 C ATOM 1387 CG GLU A 93 11.563 6.017 -3.984 1.00 0.00 C ATOM 1388 CD GLU A 93 12.252 4.915 -4.791 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.629 4.399 -5.704 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.392 4.607 -4.483 1.00 0.00 O ATOM 0 H GLU A 93 9.559 6.018 -2.881 1.00 0.00 H new ATOM 0 HA GLU A 93 11.314 6.490 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.069 6.406 -2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.137 4.950 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.482 5.878 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.769 6.991 -4.428 1.00 0.00 H new ATOM 1397 N GLN A 94 10.330 9.012 -2.126 1.00 0.00 N ATOM 1398 CA GLN A 94 10.477 10.493 -2.283 1.00 0.00 C ATOM 1399 C GLN A 94 11.435 10.816 -3.434 1.00 0.00 C ATOM 1400 O GLN A 94 11.291 11.818 -4.106 1.00 0.00 O ATOM 1401 CB GLN A 94 11.017 11.100 -0.985 1.00 0.00 C ATOM 1402 CG GLN A 94 10.295 10.479 0.214 1.00 0.00 C ATOM 1403 CD GLN A 94 10.514 11.352 1.451 1.00 0.00 C ATOM 1404 OE1 GLN A 94 11.195 10.956 2.376 1.00 0.00 O ATOM 1405 NE2 GLN A 94 9.961 12.534 1.507 1.00 0.00 N ATOM 0 H GLN A 94 9.393 8.652 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 94 9.499 10.918 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.090 10.922 -0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.872 12.180 -0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.229 10.389 0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.670 9.472 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.389 12.867 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.101 13.124 2.327 1.00 0.00 H new