USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 904 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 119 GLN : amide:sc= 0 X(o=0.76,f=0.57) USER MOD Set 1.2: A 121 THR OG1 : rot -60:sc= 0.765 USER MOD Set 2.1: A 36 SER OG : rot 11:sc= 0.261 USER MOD Set 2.2: A 51 GLN : amide:sc= 0 X(o=0.26,f=-0.23) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.796 K(o=-0.8,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= -0.886! (180deg=-0.964!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.817 X(o=-0.82,f=-0.97) USER MOD Single : A 42 GLN : amide:sc= -0.655 K(o=-0.66,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 46 CYS SG : rot 78:sc= -0.674 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 126:sc= 0.0273 USER MOD Single : A 63 THR OG1 : rot -11:sc= 1.13 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.79) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= -0.0379 (180deg=-0.241) USER MOD Single : A 81 LYS NZ :NH3+ -168:sc= -0.0364 (180deg=-0.223) USER MOD Single : A 82 THR OG1 : rot 111:sc= 1.22 USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 0.458 (180deg=0.211) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -150:sc= -1.84! USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 102 ASN : amide:sc= 0.383 K(o=0.38,f=-3.1!) USER MOD Single : A 103 LYS NZ :NH3+ 150:sc= 0.358 (180deg=-0.0123) USER MOD Single : A 105 GLN : amide:sc=-0.00187 K(o=-0.0019,f=-0.88) USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0224) USER MOD Single : A 110 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.52) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 12.608 2.809 23.155 1.00 0.00 N ATOM 2 CA GLY A 13 12.558 3.194 21.724 1.00 0.00 C ATOM 3 C GLY A 13 12.559 1.986 20.811 1.00 0.00 C ATOM 4 O GLY A 13 12.242 0.876 21.247 1.00 0.00 O ATOM 0 HA2 GLY A 13 11.662 3.787 21.539 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.414 3.827 21.489 1.00 0.00 H new ATOM 10 N SER A 14 12.926 2.205 19.549 1.00 0.00 N ATOM 11 CA SER A 14 12.944 1.151 18.534 1.00 0.00 C ATOM 12 C SER A 14 11.560 0.511 18.378 1.00 0.00 C ATOM 13 O SER A 14 11.352 -0.645 18.748 1.00 0.00 O ATOM 14 CB SER A 14 13.990 0.087 18.887 1.00 0.00 C ATOM 15 OG SER A 14 15.276 0.667 19.039 1.00 0.00 O ATOM 0 H SER A 14 13.219 3.118 19.201 1.00 0.00 H new ATOM 0 HA SER A 14 13.214 1.605 17.581 1.00 0.00 H new ATOM 0 HB2 SER A 14 13.703 -0.417 19.810 1.00 0.00 H new ATOM 0 HB3 SER A 14 14.020 -0.672 18.105 1.00 0.00 H new ATOM 0 HG SER A 14 15.925 -0.031 19.266 1.00 0.00 H new ATOM 21 N PRO A 15 10.596 1.257 17.812 1.00 0.00 N ATOM 22 CA PRO A 15 9.221 0.786 17.650 1.00 0.00 C ATOM 23 C PRO A 15 9.041 -0.070 16.398 1.00 0.00 C ATOM 24 O PRO A 15 8.171 0.200 15.562 1.00 0.00 O ATOM 25 CB PRO A 15 8.436 2.089 17.531 1.00 0.00 C ATOM 26 CG PRO A 15 9.378 3.038 16.871 1.00 0.00 C ATOM 27 CD PRO A 15 10.771 2.622 17.279 1.00 0.00 C ATOM 0 HA PRO A 15 8.900 0.144 18.470 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.531 1.954 16.939 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.125 2.455 18.510 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.266 3.004 15.787 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.174 4.063 17.180 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.455 2.634 16.431 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.184 3.294 18.031 1.00 0.00 H new ATOM 35 N GLY A 16 9.870 -1.101 16.275 1.00 0.00 N ATOM 36 CA GLY A 16 9.833 -1.964 15.109 1.00 0.00 C ATOM 37 C GLY A 16 10.506 -1.330 13.911 1.00 0.00 C ATOM 38 O GLY A 16 11.500 -1.848 13.395 1.00 0.00 O ATOM 0 H GLY A 16 10.573 -1.356 16.969 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.324 -2.909 15.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.797 -2.195 14.862 1.00 0.00 H new ATOM 42 N ILE A 17 9.963 -0.208 13.470 1.00 0.00 N ATOM 43 CA ILE A 17 10.517 0.534 12.352 1.00 0.00 C ATOM 44 C ILE A 17 11.123 1.848 12.844 1.00 0.00 C ATOM 45 O ILE A 17 10.690 2.372 13.871 1.00 0.00 O ATOM 46 CB ILE A 17 9.442 0.808 11.279 1.00 0.00 C ATOM 47 CG1 ILE A 17 8.194 1.430 11.921 1.00 0.00 C ATOM 48 CG2 ILE A 17 9.091 -0.481 10.546 1.00 0.00 C ATOM 49 CD1 ILE A 17 7.034 1.608 10.965 1.00 0.00 C ATOM 0 H ILE A 17 9.127 0.213 13.876 1.00 0.00 H new ATOM 0 HA ILE A 17 11.301 -0.071 11.896 1.00 0.00 H new ATOM 0 HB ILE A 17 9.840 1.517 10.553 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.874 0.801 12.752 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.459 2.401 12.340 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.332 -0.275 9.792 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.983 -0.880 10.063 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.707 -1.211 11.258 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.191 2.053 11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.334 2.262 10.146 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.740 0.638 10.565 1.00 0.00 H new ATOM 61 N PRO A 18 12.126 2.399 12.146 1.00 0.00 N ATOM 62 CA PRO A 18 12.859 3.562 12.642 1.00 0.00 C ATOM 63 C PRO A 18 12.006 4.830 12.624 1.00 0.00 C ATOM 64 O PRO A 18 11.745 5.428 13.672 1.00 0.00 O ATOM 65 CB PRO A 18 14.053 3.664 11.693 1.00 0.00 C ATOM 66 CG PRO A 18 13.613 3.011 10.436 1.00 0.00 C ATOM 67 CD PRO A 18 12.604 1.962 10.823 1.00 0.00 C ATOM 0 HA PRO A 18 13.158 3.454 13.685 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.330 4.704 11.520 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.929 3.166 12.109 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.172 3.739 9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 18 14.459 2.561 9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.788 1.907 10.102 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.056 0.971 10.869 1.00 0.00 H new ATOM 75 N VAL A 19 11.573 5.235 11.436 1.00 0.00 N ATOM 76 CA VAL A 19 10.644 6.326 11.288 1.00 0.00 C ATOM 77 C VAL A 19 9.260 5.786 10.941 1.00 0.00 C ATOM 78 O VAL A 19 8.960 5.530 9.774 1.00 0.00 O ATOM 79 CB VAL A 19 11.114 7.301 10.201 1.00 0.00 C ATOM 80 CG1 VAL A 19 11.951 8.411 10.808 1.00 0.00 C ATOM 81 CG2 VAL A 19 11.908 6.569 9.136 1.00 0.00 C ATOM 0 H VAL A 19 11.861 4.810 10.555 1.00 0.00 H new ATOM 0 HA VAL A 19 10.594 6.866 12.234 1.00 0.00 H new ATOM 0 HB VAL A 19 10.233 7.744 9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.276 9.093 10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.356 8.957 11.539 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.824 7.981 11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.233 7.277 8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.780 6.100 9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.282 5.804 8.677 1.00 0.00 H new ATOM 91 N PRO A 20 8.411 5.579 11.958 1.00 0.00 N ATOM 92 CA PRO A 20 7.082 4.996 11.772 1.00 0.00 C ATOM 93 C PRO A 20 6.147 5.910 10.989 1.00 0.00 C ATOM 94 O PRO A 20 6.129 7.126 11.196 1.00 0.00 O ATOM 95 CB PRO A 20 6.576 4.797 13.203 1.00 0.00 C ATOM 96 CG PRO A 20 7.327 5.787 14.016 1.00 0.00 C ATOM 97 CD PRO A 20 8.676 5.903 13.372 1.00 0.00 C ATOM 0 HA PRO A 20 7.120 4.075 11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.501 4.966 13.269 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.761 3.780 13.549 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.816 6.750 14.030 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.415 5.457 15.051 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.089 6.905 13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.393 5.212 13.815 1.00 0.00 H new ATOM 105 N GLY A 21 5.386 5.321 10.081 1.00 0.00 N ATOM 106 CA GLY A 21 4.457 6.089 9.283 1.00 0.00 C ATOM 107 C GLY A 21 3.267 5.268 8.840 1.00 0.00 C ATOM 108 O GLY A 21 3.398 4.074 8.558 1.00 0.00 O ATOM 0 H GLY A 21 5.396 4.321 9.882 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.110 6.947 9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.972 6.481 8.406 1.00 0.00 H new ATOM 112 N LYS A 22 2.110 5.908 8.774 1.00 0.00 N ATOM 113 CA LYS A 22 0.883 5.244 8.366 1.00 0.00 C ATOM 114 C LYS A 22 -0.121 6.269 7.853 1.00 0.00 C ATOM 115 O LYS A 22 -0.370 7.281 8.509 1.00 0.00 O ATOM 116 CB LYS A 22 0.273 4.470 9.544 1.00 0.00 C ATOM 117 CG LYS A 22 -0.051 5.347 10.747 1.00 0.00 C ATOM 118 CD LYS A 22 -0.812 4.592 11.825 1.00 0.00 C ATOM 119 CE LYS A 22 0.019 3.471 12.420 1.00 0.00 C ATOM 120 NZ LYS A 22 -0.661 2.838 13.575 1.00 0.00 N ATOM 0 H LYS A 22 1.996 6.896 9.000 1.00 0.00 H new ATOM 0 HA LYS A 22 1.121 4.541 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.639 3.975 9.210 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.966 3.687 9.852 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.875 5.740 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.642 6.203 10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.107 5.284 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.729 4.180 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.215 2.719 11.656 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.985 3.863 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.063 2.077 13.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.826 3.551 14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.572 2.442 13.267 1.00 0.00 H new ATOM 134 N VAL A 23 -0.689 6.033 6.681 1.00 0.00 N ATOM 135 CA VAL A 23 -1.755 6.901 6.194 1.00 0.00 C ATOM 136 C VAL A 23 -2.971 6.069 5.828 1.00 0.00 C ATOM 137 O VAL A 23 -2.844 4.916 5.415 1.00 0.00 O ATOM 138 CB VAL A 23 -1.330 7.801 4.998 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.124 8.647 5.365 1.00 0.00 C ATOM 140 CG2 VAL A 23 -1.041 6.997 3.740 1.00 0.00 C ATOM 0 H VAL A 23 -0.438 5.265 6.059 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.000 7.582 7.009 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.175 8.454 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.157 9.269 4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.371 9.284 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.710 7.997 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.749 7.672 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.231 6.294 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.935 6.448 3.446 1.00 0.00 H new ATOM 150 N THR A 24 -4.147 6.632 6.023 1.00 0.00 N ATOM 151 CA THR A 24 -5.372 5.920 5.731 1.00 0.00 C ATOM 152 C THR A 24 -6.080 6.533 4.528 1.00 0.00 C ATOM 153 O THR A 24 -6.487 7.696 4.539 1.00 0.00 O ATOM 154 CB THR A 24 -6.313 5.865 6.959 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.585 5.310 6.594 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.504 7.241 7.580 1.00 0.00 C ATOM 0 H THR A 24 -4.279 7.578 6.381 1.00 0.00 H new ATOM 0 HA THR A 24 -5.102 4.893 5.485 1.00 0.00 H new ATOM 0 HB THR A 24 -5.843 5.222 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.167 5.281 7.382 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.170 7.163 8.439 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.539 7.631 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.940 7.916 6.843 1.00 0.00 H new ATOM 164 N LEU A 25 -6.182 5.740 3.478 1.00 0.00 N ATOM 165 CA LEU A 25 -6.820 6.155 2.243 1.00 0.00 C ATOM 166 C LEU A 25 -7.938 5.180 1.923 1.00 0.00 C ATOM 167 O LEU A 25 -8.315 4.367 2.769 1.00 0.00 O ATOM 168 CB LEU A 25 -5.790 6.134 1.120 1.00 0.00 C ATOM 169 CG LEU A 25 -4.438 6.739 1.480 1.00 0.00 C ATOM 170 CD1 LEU A 25 -3.371 6.218 0.539 1.00 0.00 C ATOM 171 CD2 LEU A 25 -4.506 8.257 1.435 1.00 0.00 C ATOM 0 H LEU A 25 -5.823 4.785 3.458 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.225 7.162 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.638 5.102 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.196 6.672 0.263 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.177 6.444 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.408 6.655 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.312 5.133 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.625 6.491 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.532 8.673 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.782 8.579 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.252 8.609 2.147 1.00 0.00 H new ATOM 183 N GLN A 26 -8.457 5.237 0.710 1.00 0.00 N ATOM 184 CA GLN A 26 -9.447 4.276 0.291 1.00 0.00 C ATOM 185 C GLN A 26 -9.270 3.925 -1.180 1.00 0.00 C ATOM 186 O GLN A 26 -8.872 4.767 -1.981 1.00 0.00 O ATOM 187 CB GLN A 26 -10.847 4.805 0.579 1.00 0.00 C ATOM 188 CG GLN A 26 -11.375 5.773 -0.455 1.00 0.00 C ATOM 189 CD GLN A 26 -12.639 6.467 0.005 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.926 7.593 -0.402 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.392 5.808 0.873 1.00 0.00 N ATOM 0 H GLN A 26 -8.209 5.934 0.007 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.311 3.357 0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.533 3.961 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.843 5.298 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.612 6.520 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.574 5.238 -1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.116 4.876 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.248 6.232 1.231 1.00 0.00 H new ATOM 200 N LYS A 27 -9.499 2.648 -1.485 1.00 0.00 N ATOM 201 CA LYS A 27 -9.443 2.092 -2.832 1.00 0.00 C ATOM 202 C LYS A 27 -9.874 3.050 -3.939 1.00 0.00 C ATOM 203 O LYS A 27 -10.736 3.914 -3.765 1.00 0.00 O ATOM 204 CB LYS A 27 -10.359 0.895 -2.878 1.00 0.00 C ATOM 205 CG LYS A 27 -10.106 -0.097 -1.765 1.00 0.00 C ATOM 206 CD LYS A 27 -8.910 -0.962 -2.064 1.00 0.00 C ATOM 207 CE LYS A 27 -7.590 -0.378 -1.616 1.00 0.00 C ATOM 208 NZ LYS A 27 -7.173 -0.945 -0.309 1.00 0.00 N ATOM 0 H LYS A 27 -9.736 1.952 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.397 1.850 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.393 1.236 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.240 0.392 -3.837 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.946 0.437 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.986 -0.725 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.047 -1.930 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.867 -1.144 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.825 -0.582 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.676 0.706 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.240 -0.566 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.868 -0.686 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.118 -1.981 -0.382 1.00 0.00 H new ATOM 222 N ASP A 28 -9.270 2.835 -5.088 1.00 0.00 N ATOM 223 CA ASP A 28 -9.612 3.538 -6.310 1.00 0.00 C ATOM 224 C ASP A 28 -10.744 2.777 -7.004 1.00 0.00 C ATOM 225 O ASP A 28 -11.187 1.753 -6.484 1.00 0.00 O ATOM 226 CB ASP A 28 -8.364 3.628 -7.206 1.00 0.00 C ATOM 227 CG ASP A 28 -8.602 4.357 -8.510 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.618 5.605 -8.508 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.778 3.682 -9.543 1.00 0.00 O ATOM 0 H ASP A 28 -8.516 2.157 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.949 4.552 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.569 4.134 -6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.010 2.620 -7.423 1.00 0.00 H new ATOM 234 N ALA A 29 -11.206 3.240 -8.157 1.00 0.00 N ATOM 235 CA ALA A 29 -12.284 2.565 -8.876 1.00 0.00 C ATOM 236 C ALA A 29 -11.932 1.104 -9.173 1.00 0.00 C ATOM 237 O ALA A 29 -12.809 0.239 -9.227 1.00 0.00 O ATOM 238 CB ALA A 29 -12.596 3.305 -10.166 1.00 0.00 C ATOM 0 H ALA A 29 -10.853 4.080 -8.617 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.168 2.571 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.401 2.793 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.904 4.325 -9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.707 3.329 -10.796 1.00 0.00 H new ATOM 244 N GLN A 30 -10.641 0.828 -9.319 1.00 0.00 N ATOM 245 CA GLN A 30 -10.170 -0.489 -9.668 1.00 0.00 C ATOM 246 C GLN A 30 -9.956 -1.332 -8.415 1.00 0.00 C ATOM 247 O GLN A 30 -9.432 -2.445 -8.480 1.00 0.00 O ATOM 248 CB GLN A 30 -8.874 -0.331 -10.419 1.00 0.00 C ATOM 249 CG GLN A 30 -8.945 -0.674 -11.895 1.00 0.00 C ATOM 250 CD GLN A 30 -7.628 -0.416 -12.597 1.00 0.00 C ATOM 251 OE1 GLN A 30 -7.389 0.675 -13.118 1.00 0.00 O ATOM 252 NE2 GLN A 30 -6.757 -1.411 -12.600 1.00 0.00 N ATOM 0 H GLN A 30 -9.899 1.517 -9.197 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.908 -0.999 -10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.535 0.700 -10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.120 -0.963 -9.950 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.220 -1.722 -12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.730 -0.084 -12.368 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.995 -2.298 -12.157 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.847 -1.291 -13.045 1.00 0.00 H new ATOM 261 N ASN A 31 -10.340 -0.755 -7.279 1.00 0.00 N ATOM 262 CA ASN A 31 -10.278 -1.418 -5.973 1.00 0.00 C ATOM 263 C ASN A 31 -8.835 -1.592 -5.506 1.00 0.00 C ATOM 264 O ASN A 31 -8.510 -2.515 -4.761 1.00 0.00 O ATOM 265 CB ASN A 31 -10.985 -2.775 -6.013 1.00 0.00 C ATOM 266 CG ASN A 31 -11.123 -3.419 -4.642 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.327 -2.741 -3.632 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.993 -4.735 -4.599 1.00 0.00 N ATOM 0 H ASN A 31 -10.707 0.196 -7.236 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.794 -0.777 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.976 -2.649 -6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.431 -3.447 -6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.061 -5.225 -3.707 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.825 -5.259 -5.458 1.00 0.00 H new ATOM 275 N LEU A 32 -7.959 -0.709 -5.938 1.00 0.00 N ATOM 276 CA LEU A 32 -6.593 -0.757 -5.451 1.00 0.00 C ATOM 277 C LEU A 32 -6.159 0.600 -4.931 1.00 0.00 C ATOM 278 O LEU A 32 -6.973 1.511 -4.800 1.00 0.00 O ATOM 279 CB LEU A 32 -5.621 -1.226 -6.536 1.00 0.00 C ATOM 280 CG LEU A 32 -5.179 -0.166 -7.555 1.00 0.00 C ATOM 281 CD1 LEU A 32 -4.153 -0.743 -8.517 1.00 0.00 C ATOM 282 CD2 LEU A 32 -6.350 0.395 -8.325 1.00 0.00 C ATOM 0 H LEU A 32 -8.158 0.034 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.570 -1.479 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.731 -1.625 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.085 -2.050 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.724 0.651 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.852 0.024 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.280 -1.081 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.590 -1.586 -9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.994 1.141 -9.035 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.850 -0.410 -8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.052 0.859 -7.632 1.00 0.00 H new ATOM 294 N ILE A 33 -4.881 0.727 -4.627 1.00 0.00 N ATOM 295 CA ILE A 33 -4.342 1.971 -4.142 1.00 0.00 C ATOM 296 C ILE A 33 -3.548 2.673 -5.230 1.00 0.00 C ATOM 297 O ILE A 33 -3.434 3.896 -5.233 1.00 0.00 O ATOM 298 CB ILE A 33 -3.447 1.756 -2.910 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.455 0.285 -2.479 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.930 2.642 -1.780 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.454 -0.037 -1.391 1.00 0.00 C ATOM 0 H ILE A 33 -4.197 -0.025 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.186 2.597 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.421 2.022 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.454 0.024 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.247 -0.340 -3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.298 2.492 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.880 3.686 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.960 2.386 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.518 -1.096 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.448 0.192 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.673 0.561 -0.506 1.00 0.00 H new ATOM 313 N GLY A 34 -3.023 1.891 -6.167 1.00 0.00 N ATOM 314 CA GLY A 34 -2.240 2.449 -7.250 1.00 0.00 C ATOM 315 C GLY A 34 -0.753 2.394 -6.974 1.00 0.00 C ATOM 316 O GLY A 34 -0.030 3.345 -7.273 1.00 0.00 O ATOM 0 H GLY A 34 -3.127 0.877 -6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.457 1.905 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.538 3.484 -7.415 1.00 0.00 H new ATOM 320 N ILE A 35 -0.294 1.288 -6.398 1.00 0.00 N ATOM 321 CA ILE A 35 1.116 1.133 -6.056 1.00 0.00 C ATOM 322 C ILE A 35 1.692 -0.172 -6.568 1.00 0.00 C ATOM 323 O ILE A 35 0.995 -1.014 -7.138 1.00 0.00 O ATOM 324 CB ILE A 35 1.354 1.194 -4.529 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.465 0.195 -3.766 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.134 2.598 -4.015 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.004 -1.219 -3.715 1.00 0.00 C ATOM 0 H ILE A 35 -0.877 0.486 -6.158 1.00 0.00 H new ATOM 0 HA ILE A 35 1.621 1.969 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 35 2.391 0.909 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.330 0.555 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.521 0.177 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.306 2.623 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.827 3.279 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.110 2.906 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.313 -1.852 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.112 -1.604 -4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.976 -1.220 -3.221 1.00 0.00 H new ATOM 339 N SER A 36 2.979 -0.318 -6.338 1.00 0.00 N ATOM 340 CA SER A 36 3.688 -1.544 -6.602 1.00 0.00 C ATOM 341 C SER A 36 4.757 -1.751 -5.554 1.00 0.00 C ATOM 342 O SER A 36 5.574 -0.869 -5.301 1.00 0.00 O ATOM 343 CB SER A 36 4.290 -1.535 -8.003 1.00 0.00 C ATOM 344 OG SER A 36 3.273 -1.731 -8.956 1.00 0.00 O ATOM 0 H SER A 36 3.567 0.423 -5.957 1.00 0.00 H new ATOM 0 HA SER A 36 2.984 -2.375 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.796 -0.587 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.041 -2.320 -8.092 1.00 0.00 H new ATOM 0 HG SER A 36 2.398 -1.652 -8.522 1.00 0.00 H new ATOM 350 N ILE A 37 4.730 -2.910 -4.938 1.00 0.00 N ATOM 351 CA ILE A 37 5.660 -3.220 -3.865 1.00 0.00 C ATOM 352 C ILE A 37 6.757 -4.142 -4.370 1.00 0.00 C ATOM 353 O ILE A 37 6.489 -5.253 -4.837 1.00 0.00 O ATOM 354 CB ILE A 37 4.958 -3.871 -2.652 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.809 -2.986 -2.162 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.959 -4.119 -1.528 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.047 -3.565 -0.987 1.00 0.00 C ATOM 0 H ILE A 37 4.074 -3.659 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 37 6.091 -2.275 -3.534 1.00 0.00 H new ATOM 0 HB ILE A 37 4.545 -4.830 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.209 -2.012 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.115 -2.819 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.449 -4.578 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.746 -4.785 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.399 -3.171 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.249 -2.881 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.616 -4.525 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.727 -3.706 -0.147 1.00 0.00 H new ATOM 369 N GLY A 38 7.988 -3.673 -4.279 1.00 0.00 N ATOM 370 CA GLY A 38 9.111 -4.455 -4.726 1.00 0.00 C ATOM 371 C GLY A 38 9.807 -5.143 -3.579 1.00 0.00 C ATOM 372 O GLY A 38 10.038 -4.541 -2.528 1.00 0.00 O ATOM 0 H GLY A 38 8.228 -2.757 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.771 -5.201 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.819 -3.810 -5.246 1.00 0.00 H new ATOM 376 N GLY A 39 10.123 -6.409 -3.767 1.00 0.00 N ATOM 377 CA GLY A 39 10.811 -7.154 -2.743 1.00 0.00 C ATOM 378 C GLY A 39 12.230 -7.466 -3.142 1.00 0.00 C ATOM 379 O GLY A 39 12.579 -7.357 -4.318 1.00 0.00 O ATOM 0 H GLY A 39 9.914 -6.936 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.811 -6.583 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.275 -8.083 -2.546 1.00 0.00 H new ATOM 383 N GLY A 40 13.061 -7.817 -2.166 1.00 0.00 N ATOM 384 CA GLY A 40 14.418 -8.231 -2.468 1.00 0.00 C ATOM 385 C GLY A 40 14.481 -9.581 -3.161 1.00 0.00 C ATOM 386 O GLY A 40 13.601 -9.930 -3.949 1.00 0.00 O ATOM 0 H GLY A 40 12.820 -7.822 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.890 -7.480 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.994 -8.275 -1.544 1.00 0.00 H new ATOM 390 N ALA A 41 15.499 -10.362 -2.831 1.00 0.00 N ATOM 391 CA ALA A 41 15.754 -11.620 -3.516 1.00 0.00 C ATOM 392 C ALA A 41 16.899 -12.368 -2.852 1.00 0.00 C ATOM 393 O ALA A 41 16.677 -13.225 -2.000 1.00 0.00 O ATOM 394 CB ALA A 41 16.053 -11.382 -4.990 1.00 0.00 C ATOM 0 H ALA A 41 16.165 -10.145 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 41 14.856 -12.234 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 41 16.240 -12.336 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 41 15.200 -10.893 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 41 16.933 -10.746 -5.085 1.00 0.00 H new ATOM 400 N GLN A 42 18.126 -12.027 -3.226 1.00 0.00 N ATOM 401 CA GLN A 42 19.297 -12.670 -2.649 1.00 0.00 C ATOM 402 C GLN A 42 19.870 -11.811 -1.526 1.00 0.00 C ATOM 403 O GLN A 42 20.694 -12.265 -0.734 1.00 0.00 O ATOM 404 CB GLN A 42 20.351 -12.928 -3.730 1.00 0.00 C ATOM 405 CG GLN A 42 21.487 -13.832 -3.276 1.00 0.00 C ATOM 406 CD GLN A 42 22.410 -14.239 -4.410 1.00 0.00 C ATOM 407 OE1 GLN A 42 22.987 -15.325 -4.392 1.00 0.00 O ATOM 408 NE2 GLN A 42 22.568 -13.374 -5.397 1.00 0.00 N ATOM 0 H GLN A 42 18.334 -11.312 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 42 19.000 -13.631 -2.229 1.00 0.00 H new ATOM 0 HB2 GLN A 42 19.866 -13.377 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 42 20.766 -11.974 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 42 22.067 -13.320 -2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 42 21.070 -14.727 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.073 -12.482 -5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.185 -13.598 -6.178 1.00 0.00 H new ATOM 417 N TYR A 43 19.436 -10.560 -1.470 1.00 0.00 N ATOM 418 CA TYR A 43 19.812 -9.674 -0.378 1.00 0.00 C ATOM 419 C TYR A 43 18.829 -9.836 0.771 1.00 0.00 C ATOM 420 O TYR A 43 19.142 -10.443 1.791 1.00 0.00 O ATOM 421 CB TYR A 43 19.837 -8.213 -0.838 1.00 0.00 C ATOM 422 CG TYR A 43 20.867 -7.919 -1.905 1.00 0.00 C ATOM 423 CD1 TYR A 43 20.593 -8.153 -3.246 1.00 0.00 C ATOM 424 CD2 TYR A 43 22.110 -7.401 -1.572 1.00 0.00 C ATOM 425 CE1 TYR A 43 21.527 -7.881 -4.223 1.00 0.00 C ATOM 426 CE2 TYR A 43 23.050 -7.126 -2.545 1.00 0.00 C ATOM 427 CZ TYR A 43 22.753 -7.368 -3.869 1.00 0.00 C ATOM 428 OH TYR A 43 23.688 -7.100 -4.843 1.00 0.00 O ATOM 0 H TYR A 43 18.824 -10.136 -2.167 1.00 0.00 H new ATOM 0 HA TYR A 43 20.814 -9.943 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 43 18.851 -7.946 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 43 20.031 -7.575 0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 43 19.631 -8.555 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.346 -7.210 -0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.297 -8.070 -5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 43 24.014 -6.723 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 43 24.500 -6.741 -4.427 1.00 0.00 H new ATOM 438 N CYS A 44 17.631 -9.302 0.584 1.00 0.00 N ATOM 439 CA CYS A 44 16.569 -9.431 1.567 1.00 0.00 C ATOM 440 C CYS A 44 15.210 -9.224 0.904 1.00 0.00 C ATOM 441 O CYS A 44 14.804 -8.093 0.649 1.00 0.00 O ATOM 442 CB CYS A 44 16.777 -8.427 2.707 1.00 0.00 C ATOM 443 SG CYS A 44 17.000 -6.717 2.157 1.00 0.00 S ATOM 0 H CYS A 44 17.370 -8.771 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 44 16.596 -10.436 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 44 15.919 -8.472 3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.650 -8.728 3.286 1.00 0.00 H new ATOM 0 HG CYS A 44 17.166 -5.947 3.191 1.00 0.00 H new ATOM 449 N PRO A 45 14.522 -10.321 0.553 1.00 0.00 N ATOM 450 CA PRO A 45 13.169 -10.274 -0.022 1.00 0.00 C ATOM 451 C PRO A 45 12.217 -9.396 0.783 1.00 0.00 C ATOM 452 O PRO A 45 12.305 -9.340 2.011 1.00 0.00 O ATOM 453 CB PRO A 45 12.739 -11.734 0.006 1.00 0.00 C ATOM 454 CG PRO A 45 14.019 -12.461 -0.176 1.00 0.00 C ATOM 455 CD PRO A 45 15.017 -11.705 0.650 1.00 0.00 C ATOM 0 HA PRO A 45 13.155 -9.832 -1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.257 -11.995 0.948 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.029 -11.961 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.935 -13.496 0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 45 14.313 -12.485 -1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.041 -12.057 1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.029 -11.803 0.256 1.00 0.00 H new ATOM 463 N CYS A 46 11.291 -8.749 0.063 1.00 0.00 N ATOM 464 CA CYS A 46 10.488 -7.639 0.590 1.00 0.00 C ATOM 465 C CYS A 46 11.375 -6.410 0.780 1.00 0.00 C ATOM 466 O CYS A 46 12.436 -6.501 1.383 1.00 0.00 O ATOM 467 CB CYS A 46 9.797 -8.007 1.911 1.00 0.00 C ATOM 468 SG CYS A 46 8.680 -9.424 1.792 1.00 0.00 S ATOM 0 H CYS A 46 11.077 -8.983 -0.907 1.00 0.00 H new ATOM 0 HA CYS A 46 9.704 -7.418 -0.134 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.560 -8.221 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.235 -7.144 2.267 1.00 0.00 H new ATOM 0 HG CYS A 46 9.373 -10.524 1.790 1.00 0.00 H new ATOM 474 N LEU A 47 10.984 -5.280 0.196 1.00 0.00 N ATOM 475 CA LEU A 47 11.706 -4.032 0.413 1.00 0.00 C ATOM 476 C LEU A 47 10.741 -2.864 0.551 1.00 0.00 C ATOM 477 O LEU A 47 10.199 -2.598 1.622 1.00 0.00 O ATOM 478 CB LEU A 47 12.659 -3.723 -0.747 1.00 0.00 C ATOM 479 CG LEU A 47 13.576 -4.848 -1.181 1.00 0.00 C ATOM 480 CD1 LEU A 47 14.105 -4.562 -2.572 1.00 0.00 C ATOM 481 CD2 LEU A 47 14.724 -5.026 -0.201 1.00 0.00 C ATOM 0 H LEU A 47 10.179 -5.204 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 47 12.278 -4.160 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.063 -3.417 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 47 13.275 -2.869 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 47 13.006 -5.777 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.765 -5.372 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.271 -4.484 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.660 -3.624 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.366 -5.840 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.304 -4.104 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.326 -5.261 0.786 1.00 0.00 H new ATOM 493 N TYR A 48 10.487 -2.211 -0.566 1.00 0.00 N ATOM 494 CA TYR A 48 9.787 -0.942 -0.556 1.00 0.00 C ATOM 495 C TYR A 48 8.873 -0.805 -1.762 1.00 0.00 C ATOM 496 O TYR A 48 8.862 -1.655 -2.652 1.00 0.00 O ATOM 497 CB TYR A 48 10.801 0.212 -0.524 1.00 0.00 C ATOM 498 CG TYR A 48 11.798 0.209 -1.665 1.00 0.00 C ATOM 499 CD1 TYR A 48 11.517 0.849 -2.866 1.00 0.00 C ATOM 500 CD2 TYR A 48 13.027 -0.422 -1.533 1.00 0.00 C ATOM 501 CE1 TYR A 48 12.430 0.854 -3.902 1.00 0.00 C ATOM 502 CE2 TYR A 48 13.944 -0.424 -2.563 1.00 0.00 C ATOM 503 CZ TYR A 48 13.643 0.216 -3.745 1.00 0.00 C ATOM 504 OH TYR A 48 14.556 0.219 -4.775 1.00 0.00 O ATOM 0 H TYR A 48 10.756 -2.539 -1.494 1.00 0.00 H new ATOM 0 HA TYR A 48 9.166 -0.903 0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.257 1.156 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.347 0.172 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.569 1.351 -2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.270 -0.921 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.196 1.355 -4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.893 -0.925 -2.443 1.00 0.00 H new ATOM 0 HH TYR A 48 15.359 -0.273 -4.502 1.00 0.00 H new ATOM 514 N ILE A 49 8.110 0.273 -1.779 1.00 0.00 N ATOM 515 CA ILE A 49 7.209 0.556 -2.876 1.00 0.00 C ATOM 516 C ILE A 49 8.010 1.109 -4.056 1.00 0.00 C ATOM 517 O ILE A 49 8.710 2.117 -3.940 1.00 0.00 O ATOM 518 CB ILE A 49 6.080 1.521 -2.416 1.00 0.00 C ATOM 519 CG1 ILE A 49 5.049 1.768 -3.517 1.00 0.00 C ATOM 520 CG2 ILE A 49 6.652 2.843 -1.940 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.376 2.946 -4.410 1.00 0.00 C ATOM 0 H ILE A 49 8.099 0.972 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 49 6.720 -0.361 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 49 5.572 1.033 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.966 0.871 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.074 1.932 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.840 3.498 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.324 2.667 -1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.204 3.315 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.598 3.057 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.430 3.854 -3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.335 2.777 -4.899 1.00 0.00 H new ATOM 533 N VAL A 50 7.928 0.419 -5.181 1.00 0.00 N ATOM 534 CA VAL A 50 8.783 0.708 -6.323 1.00 0.00 C ATOM 535 C VAL A 50 8.131 1.647 -7.319 1.00 0.00 C ATOM 536 O VAL A 50 8.822 2.285 -8.114 1.00 0.00 O ATOM 537 CB VAL A 50 9.191 -0.579 -7.070 1.00 0.00 C ATOM 538 CG1 VAL A 50 10.255 -1.332 -6.291 1.00 0.00 C ATOM 539 CG2 VAL A 50 7.985 -1.474 -7.324 1.00 0.00 C ATOM 0 H VAL A 50 7.274 -0.350 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 50 9.666 1.192 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 50 9.605 -0.289 -8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.531 -2.237 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.134 -0.699 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.865 -1.601 -5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.304 -2.373 -7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.532 -1.753 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.255 -0.937 -7.930 1.00 0.00 H new ATOM 549 N GLN A 51 6.814 1.746 -7.282 1.00 0.00 N ATOM 550 CA GLN A 51 6.103 2.484 -8.298 1.00 0.00 C ATOM 551 C GLN A 51 4.749 2.934 -7.779 1.00 0.00 C ATOM 552 O GLN A 51 4.043 2.174 -7.118 1.00 0.00 O ATOM 553 CB GLN A 51 5.950 1.608 -9.550 1.00 0.00 C ATOM 554 CG GLN A 51 4.572 1.684 -10.184 1.00 0.00 C ATOM 555 CD GLN A 51 4.382 0.699 -11.318 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.334 0.325 -12.006 1.00 0.00 O ATOM 557 NE2 GLN A 51 3.149 0.270 -11.517 1.00 0.00 N ATOM 0 H GLN A 51 6.224 1.327 -6.564 1.00 0.00 H new ATOM 0 HA GLN A 51 6.670 3.377 -8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.696 1.908 -10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.162 0.572 -9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.817 1.499 -9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.406 2.695 -10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.390 0.606 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.955 -0.397 -12.264 1.00 0.00 H new ATOM 566 N VAL A 52 4.410 4.175 -8.066 1.00 0.00 N ATOM 567 CA VAL A 52 3.116 4.716 -7.707 1.00 0.00 C ATOM 568 C VAL A 52 2.610 5.583 -8.852 1.00 0.00 C ATOM 569 O VAL A 52 3.392 6.007 -9.706 1.00 0.00 O ATOM 570 CB VAL A 52 3.173 5.550 -6.406 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.833 6.902 -6.633 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.789 5.724 -5.811 1.00 0.00 C ATOM 0 H VAL A 52 5.020 4.833 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 52 2.437 3.882 -7.527 1.00 0.00 H new ATOM 0 HB VAL A 52 3.787 4.998 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.854 7.458 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.852 6.754 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.266 7.464 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.857 6.314 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.147 6.237 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.366 4.746 -5.581 1.00 0.00 H new ATOM 582 N PHE A 53 1.317 5.826 -8.885 1.00 0.00 N ATOM 583 CA PHE A 53 0.738 6.674 -9.912 1.00 0.00 C ATOM 584 C PHE A 53 0.652 8.120 -9.410 1.00 0.00 C ATOM 585 O PHE A 53 1.598 8.599 -8.785 1.00 0.00 O ATOM 586 CB PHE A 53 -0.621 6.117 -10.346 1.00 0.00 C ATOM 587 CG PHE A 53 -0.504 4.827 -11.119 1.00 0.00 C ATOM 588 CD1 PHE A 53 -0.185 3.635 -10.483 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.704 4.814 -12.491 1.00 0.00 C ATOM 590 CE1 PHE A 53 -0.067 2.459 -11.200 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.590 3.640 -13.210 1.00 0.00 C ATOM 592 CZ PHE A 53 -0.271 2.462 -12.564 1.00 0.00 C ATOM 0 H PHE A 53 0.646 5.450 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 53 1.378 6.679 -10.794 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.239 5.952 -9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.133 6.858 -10.960 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.027 3.626 -9.415 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.952 5.732 -13.003 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.185 1.539 -10.693 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.750 3.643 -14.278 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.181 1.544 -13.126 1.00 0.00 H new ATOM 602 N ASP A 54 -0.441 8.827 -9.680 1.00 0.00 N ATOM 603 CA ASP A 54 -0.565 10.216 -9.222 1.00 0.00 C ATOM 604 C ASP A 54 -1.960 10.522 -8.684 1.00 0.00 C ATOM 605 O ASP A 54 -2.115 11.217 -7.682 1.00 0.00 O ATOM 606 CB ASP A 54 -0.242 11.157 -10.378 1.00 0.00 C ATOM 607 CG ASP A 54 -0.039 12.590 -9.934 1.00 0.00 C ATOM 608 OD1 ASP A 54 -1.035 13.327 -9.791 1.00 0.00 O ATOM 609 OD2 ASP A 54 1.125 12.996 -9.749 1.00 0.00 O ATOM 0 H ASP A 54 -1.242 8.474 -10.203 1.00 0.00 H new ATOM 0 HA ASP A 54 0.140 10.363 -8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.659 10.808 -10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.051 11.119 -11.107 1.00 0.00 H new ATOM 614 N ASN A 55 -2.962 9.984 -9.346 1.00 0.00 N ATOM 615 CA ASN A 55 -4.351 10.264 -9.032 1.00 0.00 C ATOM 616 C ASN A 55 -4.935 9.121 -8.235 1.00 0.00 C ATOM 617 O ASN A 55 -6.127 9.098 -7.934 1.00 0.00 O ATOM 618 CB ASN A 55 -5.163 10.480 -10.310 1.00 0.00 C ATOM 619 CG ASN A 55 -4.754 11.740 -11.041 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.305 12.814 -10.807 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.783 11.623 -11.927 1.00 0.00 N ATOM 0 H ASN A 55 -2.837 9.335 -10.123 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.396 11.178 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.035 9.622 -10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.223 10.535 -10.060 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.465 12.441 -12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.351 10.714 -12.093 1.00 0.00 H new ATOM 628 N THR A 56 -4.089 8.158 -7.908 1.00 0.00 N ATOM 629 CA THR A 56 -4.502 7.050 -7.098 1.00 0.00 C ATOM 630 C THR A 56 -4.405 7.464 -5.653 1.00 0.00 C ATOM 631 O THR A 56 -3.548 8.284 -5.326 1.00 0.00 O ATOM 632 CB THR A 56 -3.617 5.820 -7.344 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.260 6.099 -6.970 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.656 5.422 -8.802 1.00 0.00 C ATOM 0 H THR A 56 -3.111 8.132 -8.198 1.00 0.00 H new ATOM 0 HA THR A 56 -5.526 6.778 -7.356 1.00 0.00 H new ATOM 0 HB THR A 56 -4.001 5.001 -6.736 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.949 5.420 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.023 4.548 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.681 5.183 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.293 6.247 -9.414 1.00 0.00 H new ATOM 642 N PRO A 57 -5.264 6.954 -4.772 1.00 0.00 N ATOM 643 CA PRO A 57 -5.264 7.366 -3.372 1.00 0.00 C ATOM 644 C PRO A 57 -3.866 7.308 -2.782 1.00 0.00 C ATOM 645 O PRO A 57 -3.433 8.222 -2.079 1.00 0.00 O ATOM 646 CB PRO A 57 -6.184 6.348 -2.687 1.00 0.00 C ATOM 647 CG PRO A 57 -6.454 5.288 -3.710 1.00 0.00 C ATOM 648 CD PRO A 57 -6.287 5.942 -5.046 1.00 0.00 C ATOM 0 HA PRO A 57 -5.599 8.395 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.709 5.925 -1.802 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.110 6.818 -2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.763 4.453 -3.597 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.461 4.886 -3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.964 5.233 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.216 6.388 -5.399 1.00 0.00 H new ATOM 656 N ALA A 58 -3.166 6.237 -3.126 1.00 0.00 N ATOM 657 CA ALA A 58 -1.799 6.007 -2.686 1.00 0.00 C ATOM 658 C ALA A 58 -0.874 7.138 -3.090 1.00 0.00 C ATOM 659 O ALA A 58 -0.067 7.605 -2.291 1.00 0.00 O ATOM 660 CB ALA A 58 -1.286 4.727 -3.287 1.00 0.00 C ATOM 0 H ALA A 58 -3.535 5.497 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.812 5.947 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.261 4.555 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.915 3.897 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.309 4.801 -4.374 1.00 0.00 H new ATOM 666 N ALA A 59 -0.966 7.563 -4.338 1.00 0.00 N ATOM 667 CA ALA A 59 -0.128 8.646 -4.798 1.00 0.00 C ATOM 668 C ALA A 59 -0.626 9.967 -4.249 1.00 0.00 C ATOM 669 O ALA A 59 0.090 10.672 -3.537 1.00 0.00 O ATOM 670 CB ALA A 59 -0.125 8.692 -6.305 1.00 0.00 C ATOM 0 H ALA A 59 -1.602 7.180 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 59 0.888 8.475 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.509 9.512 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.259 7.750 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.142 8.847 -6.666 1.00 0.00 H new ATOM 676 N LEU A 60 -1.870 10.269 -4.586 1.00 0.00 N ATOM 677 CA LEU A 60 -2.467 11.573 -4.309 1.00 0.00 C ATOM 678 C LEU A 60 -2.338 12.058 -2.855 1.00 0.00 C ATOM 679 O LEU A 60 -1.537 12.947 -2.567 1.00 0.00 O ATOM 680 CB LEU A 60 -3.907 11.598 -4.803 1.00 0.00 C ATOM 681 CG LEU A 60 -5.009 10.955 -3.989 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.652 12.024 -3.140 1.00 0.00 C ATOM 683 CD2 LEU A 60 -6.025 10.342 -4.921 1.00 0.00 C ATOM 0 H LEU A 60 -2.497 9.619 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.879 12.301 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.180 12.644 -4.945 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.918 11.129 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.608 10.170 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.451 11.583 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.904 12.462 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.066 12.800 -3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.820 9.878 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.448 11.118 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.541 9.587 -5.541 1.00 0.00 H new ATOM 695 N ASP A 61 -3.105 11.493 -1.950 1.00 0.00 N ATOM 696 CA ASP A 61 -3.064 11.893 -0.546 1.00 0.00 C ATOM 697 C ASP A 61 -2.108 10.985 0.169 1.00 0.00 C ATOM 698 O ASP A 61 -1.623 11.265 1.265 1.00 0.00 O ATOM 699 CB ASP A 61 -4.464 11.796 0.078 1.00 0.00 C ATOM 700 CG ASP A 61 -4.538 12.369 1.482 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.713 13.600 1.617 1.00 0.00 O ATOM 702 OD2 ASP A 61 -4.443 11.592 2.458 1.00 0.00 O ATOM 0 H ASP A 61 -3.772 10.749 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.732 12.928 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.175 12.322 -0.559 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.771 10.750 0.103 1.00 0.00 H new ATOM 707 N GLY A 62 -1.816 9.907 -0.522 1.00 0.00 N ATOM 708 CA GLY A 62 -1.138 8.773 0.094 1.00 0.00 C ATOM 709 C GLY A 62 0.268 9.067 0.576 1.00 0.00 C ATOM 710 O GLY A 62 0.626 8.710 1.695 1.00 0.00 O ATOM 0 H GLY A 62 -2.034 9.785 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.733 8.426 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.098 7.955 -0.626 1.00 0.00 H new ATOM 714 N THR A 63 1.060 9.688 -0.289 1.00 0.00 N ATOM 715 CA THR A 63 2.473 10.018 -0.026 1.00 0.00 C ATOM 716 C THR A 63 3.303 8.755 0.160 1.00 0.00 C ATOM 717 O THR A 63 4.430 8.784 0.656 1.00 0.00 O ATOM 718 CB THR A 63 2.656 10.968 1.185 1.00 0.00 C ATOM 719 OG1 THR A 63 2.451 10.285 2.430 1.00 0.00 O ATOM 720 CG2 THR A 63 1.678 12.116 1.076 1.00 0.00 C ATOM 0 H THR A 63 0.742 9.986 -1.211 1.00 0.00 H new ATOM 0 HA THR A 63 2.831 10.552 -0.906 1.00 0.00 H new ATOM 0 HB THR A 63 3.680 11.340 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.062 9.402 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.806 12.785 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.862 12.665 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.660 11.727 1.070 1.00 0.00 H new ATOM 728 N VAL A 64 2.722 7.648 -0.259 1.00 0.00 N ATOM 729 CA VAL A 64 3.394 6.355 -0.251 1.00 0.00 C ATOM 730 C VAL A 64 3.970 6.065 -1.611 1.00 0.00 C ATOM 731 O VAL A 64 3.733 5.028 -2.233 1.00 0.00 O ATOM 732 CB VAL A 64 2.481 5.228 0.224 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.232 5.452 1.685 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.171 5.193 -0.550 1.00 0.00 C ATOM 0 H VAL A 64 1.767 7.616 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 64 4.210 6.408 0.470 1.00 0.00 H new ATOM 0 HB VAL A 64 2.959 4.264 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.581 4.666 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.180 5.432 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.754 6.421 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.551 4.376 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.644 6.138 -0.416 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.378 5.040 -1.609 1.00 0.00 H new ATOM 744 N ALA A 65 4.730 7.028 -2.046 1.00 0.00 N ATOM 745 CA ALA A 65 5.252 7.057 -3.399 1.00 0.00 C ATOM 746 C ALA A 65 6.540 6.256 -3.514 1.00 0.00 C ATOM 747 O ALA A 65 7.129 5.859 -2.510 1.00 0.00 O ATOM 748 CB ALA A 65 5.475 8.495 -3.844 1.00 0.00 C ATOM 0 H ALA A 65 5.012 7.825 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 65 4.516 6.594 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.867 8.505 -4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.529 9.036 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.189 8.976 -3.176 1.00 0.00 H new ATOM 754 N ALA A 66 6.961 6.028 -4.753 1.00 0.00 N ATOM 755 CA ALA A 66 8.118 5.195 -5.050 1.00 0.00 C ATOM 756 C ALA A 66 9.329 5.588 -4.213 1.00 0.00 C ATOM 757 O ALA A 66 9.762 6.741 -4.233 1.00 0.00 O ATOM 758 CB ALA A 66 8.447 5.281 -6.531 1.00 0.00 C ATOM 0 H ALA A 66 6.508 6.417 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 66 7.866 4.166 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.313 4.656 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.594 4.934 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.670 6.315 -6.795 1.00 0.00 H new ATOM 764 N GLY A 67 9.854 4.633 -3.462 1.00 0.00 N ATOM 765 CA GLY A 67 11.022 4.892 -2.652 1.00 0.00 C ATOM 766 C GLY A 67 10.769 4.703 -1.171 1.00 0.00 C ATOM 767 O GLY A 67 11.713 4.626 -0.381 1.00 0.00 O ATOM 0 H GLY A 67 9.491 3.682 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.828 4.229 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.362 5.912 -2.830 1.00 0.00 H new ATOM 771 N ASP A 68 9.504 4.631 -0.776 1.00 0.00 N ATOM 772 CA ASP A 68 9.172 4.445 0.628 1.00 0.00 C ATOM 773 C ASP A 68 9.063 2.967 0.948 1.00 0.00 C ATOM 774 O ASP A 68 8.637 2.175 0.114 1.00 0.00 O ATOM 775 CB ASP A 68 7.871 5.158 0.982 1.00 0.00 C ATOM 776 CG ASP A 68 7.993 6.667 0.906 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.741 7.249 1.721 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.340 7.285 0.045 1.00 0.00 O ATOM 0 H ASP A 68 8.701 4.698 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 68 9.972 4.881 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.084 4.826 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.567 4.872 1.989 1.00 0.00 H new ATOM 783 N GLU A 69 9.446 2.589 2.150 1.00 0.00 N ATOM 784 CA GLU A 69 9.478 1.183 2.511 1.00 0.00 C ATOM 785 C GLU A 69 8.144 0.747 3.085 1.00 0.00 C ATOM 786 O GLU A 69 7.640 1.352 4.028 1.00 0.00 O ATOM 787 CB GLU A 69 10.599 0.901 3.509 1.00 0.00 C ATOM 788 CG GLU A 69 10.783 -0.579 3.790 1.00 0.00 C ATOM 789 CD GLU A 69 11.991 -0.872 4.648 1.00 0.00 C ATOM 790 OE1 GLU A 69 13.124 -0.688 4.159 1.00 0.00 O ATOM 791 OE2 GLU A 69 11.808 -1.308 5.805 1.00 0.00 O ATOM 0 H GLU A 69 9.738 3.228 2.890 1.00 0.00 H new ATOM 0 HA GLU A 69 9.672 0.609 1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.533 1.311 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.385 1.419 4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.891 -0.963 4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.878 -1.113 2.845 1.00 0.00 H new ATOM 798 N ILE A 70 7.577 -0.307 2.519 1.00 0.00 N ATOM 799 CA ILE A 70 6.292 -0.810 2.976 1.00 0.00 C ATOM 800 C ILE A 70 6.532 -1.919 3.985 1.00 0.00 C ATOM 801 O ILE A 70 7.171 -2.921 3.669 1.00 0.00 O ATOM 802 CB ILE A 70 5.430 -1.358 1.816 1.00 0.00 C ATOM 803 CG1 ILE A 70 5.354 -0.356 0.657 1.00 0.00 C ATOM 804 CG2 ILE A 70 4.032 -1.707 2.316 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.677 0.947 1.011 1.00 0.00 C ATOM 0 H ILE A 70 7.986 -0.829 1.744 1.00 0.00 H new ATOM 0 HA ILE A 70 5.748 0.020 3.426 1.00 0.00 H new ATOM 0 HB ILE A 70 5.905 -2.264 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.364 -0.145 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.819 -0.817 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.435 -2.092 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.103 -2.465 3.096 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.557 -0.814 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.664 1.599 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.654 0.750 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.223 1.433 1.819 1.00 0.00 H new ATOM 817 N THR A 71 6.040 -1.741 5.198 1.00 0.00 N ATOM 818 CA THR A 71 6.315 -2.698 6.253 1.00 0.00 C ATOM 819 C THR A 71 5.061 -3.482 6.652 1.00 0.00 C ATOM 820 O THR A 71 5.161 -4.590 7.185 1.00 0.00 O ATOM 821 CB THR A 71 6.942 -2.004 7.487 1.00 0.00 C ATOM 822 OG1 THR A 71 7.325 -2.971 8.471 1.00 0.00 O ATOM 823 CG2 THR A 71 5.983 -0.997 8.103 1.00 0.00 C ATOM 0 H THR A 71 5.455 -0.952 5.474 1.00 0.00 H new ATOM 0 HA THR A 71 7.038 -3.412 5.858 1.00 0.00 H new ATOM 0 HB THR A 71 7.829 -1.471 7.146 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.720 -2.514 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.454 -0.528 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.734 -0.234 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.073 -1.507 8.418 1.00 0.00 H new ATOM 831 N GLY A 72 3.880 -2.940 6.367 1.00 0.00 N ATOM 832 CA GLY A 72 2.669 -3.639 6.740 1.00 0.00 C ATOM 833 C GLY A 72 1.429 -3.133 6.037 1.00 0.00 C ATOM 834 O GLY A 72 1.374 -1.986 5.590 1.00 0.00 O ATOM 0 H GLY A 72 3.743 -2.047 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.791 -4.700 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.526 -3.550 7.817 1.00 0.00 H new ATOM 838 N VAL A 73 0.436 -4.005 5.950 1.00 0.00 N ATOM 839 CA VAL A 73 -0.835 -3.704 5.354 1.00 0.00 C ATOM 840 C VAL A 73 -1.939 -3.935 6.383 1.00 0.00 C ATOM 841 O VAL A 73 -2.017 -5.012 6.963 1.00 0.00 O ATOM 842 CB VAL A 73 -1.082 -4.615 4.125 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.357 -5.946 4.275 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.554 -4.888 3.971 1.00 0.00 C ATOM 0 H VAL A 73 0.504 -4.960 6.303 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.838 -2.663 5.029 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.701 -4.095 3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.548 -6.565 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.714 -5.768 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.718 -6.458 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.716 -5.529 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.927 -5.386 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.086 -3.947 3.831 1.00 0.00 H new ATOM 854 N ASN A 74 -2.761 -2.921 6.637 1.00 0.00 N ATOM 855 CA ASN A 74 -3.931 -3.071 7.513 1.00 0.00 C ATOM 856 C ASN A 74 -3.518 -3.541 8.915 1.00 0.00 C ATOM 857 O ASN A 74 -4.310 -4.121 9.661 1.00 0.00 O ATOM 858 CB ASN A 74 -4.922 -4.060 6.880 1.00 0.00 C ATOM 859 CG ASN A 74 -6.327 -3.937 7.417 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.712 -4.617 8.367 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.107 -3.077 6.807 1.00 0.00 N ATOM 0 H ASN A 74 -2.643 -1.984 6.251 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.413 -2.099 7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.940 -3.903 5.801 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.566 -5.076 7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.071 -2.953 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.750 -2.532 6.023 1.00 0.00 H new ATOM 868 N GLY A 75 -2.262 -3.293 9.264 1.00 0.00 N ATOM 869 CA GLY A 75 -1.764 -3.672 10.568 1.00 0.00 C ATOM 870 C GLY A 75 -0.952 -4.954 10.546 1.00 0.00 C ATOM 871 O GLY A 75 -0.170 -5.209 11.462 1.00 0.00 O ATOM 0 H GLY A 75 -1.578 -2.834 8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.147 -2.865 10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.605 -3.794 11.250 1.00 0.00 H new ATOM 875 N ARG A 76 -1.124 -5.765 9.511 1.00 0.00 N ATOM 876 CA ARG A 76 -0.403 -7.001 9.399 1.00 0.00 C ATOM 877 C ARG A 76 0.754 -6.861 8.413 1.00 0.00 C ATOM 878 O ARG A 76 0.580 -6.370 7.298 1.00 0.00 O ATOM 879 CB ARG A 76 -1.366 -8.099 8.972 1.00 0.00 C ATOM 880 CG ARG A 76 -2.266 -7.729 7.812 1.00 0.00 C ATOM 881 CD ARG A 76 -3.343 -8.772 7.588 1.00 0.00 C ATOM 882 NE ARG A 76 -4.354 -8.746 8.643 1.00 0.00 N ATOM 883 CZ ARG A 76 -4.981 -9.825 9.106 1.00 0.00 C ATOM 884 NH1 ARG A 76 -4.649 -11.036 8.674 1.00 0.00 N ATOM 885 NH2 ARG A 76 -5.928 -9.692 10.025 1.00 0.00 N ATOM 0 H ARG A 76 -1.763 -5.577 8.739 1.00 0.00 H new ATOM 0 HA ARG A 76 0.027 -7.264 10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.791 -8.984 8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.987 -8.372 9.825 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.730 -6.762 8.004 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.668 -7.622 6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.820 -8.600 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.887 -9.761 7.546 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.595 -7.843 9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.908 -11.145 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.135 -11.857 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.173 -8.766 10.374 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.411 -10.516 10.383 1.00 0.00 H new ATOM 899 N SER A 77 1.935 -7.284 8.842 1.00 0.00 N ATOM 900 CA SER A 77 3.147 -7.163 8.036 1.00 0.00 C ATOM 901 C SER A 77 3.041 -7.996 6.757 1.00 0.00 C ATOM 902 O SER A 77 2.308 -8.986 6.709 1.00 0.00 O ATOM 903 CB SER A 77 4.348 -7.616 8.866 1.00 0.00 C ATOM 904 OG SER A 77 4.460 -6.847 10.055 1.00 0.00 O ATOM 0 H SER A 77 2.082 -7.719 9.753 1.00 0.00 H new ATOM 0 HA SER A 77 3.275 -6.121 7.744 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.244 -8.671 9.119 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.260 -7.518 8.277 1.00 0.00 H new ATOM 0 HG SER A 77 5.234 -7.155 10.572 1.00 0.00 H new ATOM 910 N ILE A 78 3.767 -7.586 5.714 1.00 0.00 N ATOM 911 CA ILE A 78 3.715 -8.300 4.441 1.00 0.00 C ATOM 912 C ILE A 78 4.818 -9.337 4.371 1.00 0.00 C ATOM 913 O ILE A 78 4.678 -10.373 3.719 1.00 0.00 O ATOM 914 CB ILE A 78 3.849 -7.399 3.189 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.257 -6.794 3.038 1.00 0.00 C ATOM 916 CG2 ILE A 78 2.799 -6.304 3.189 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.597 -5.704 4.032 1.00 0.00 C ATOM 0 H ILE A 78 4.388 -6.777 5.726 1.00 0.00 H new ATOM 0 HA ILE A 78 2.723 -8.751 4.421 1.00 0.00 H new ATOM 0 HB ILE A 78 3.684 -8.045 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.991 -7.594 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.356 -6.389 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.917 -5.687 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.806 -6.753 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.919 -5.685 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.608 -5.343 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.891 -4.880 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.537 -6.103 5.044 1.00 0.00 H new ATOM 929 N LYS A 79 5.924 -9.032 5.033 1.00 0.00 N ATOM 930 CA LYS A 79 7.087 -9.891 5.022 1.00 0.00 C ATOM 931 C LYS A 79 6.804 -11.140 5.838 1.00 0.00 C ATOM 932 O LYS A 79 7.008 -11.170 7.053 1.00 0.00 O ATOM 933 CB LYS A 79 8.294 -9.133 5.571 1.00 0.00 C ATOM 934 CG LYS A 79 9.594 -9.921 5.512 1.00 0.00 C ATOM 935 CD LYS A 79 10.782 -9.099 5.994 1.00 0.00 C ATOM 936 CE LYS A 79 10.602 -8.627 7.431 1.00 0.00 C ATOM 937 NZ LYS A 79 10.354 -9.759 8.364 1.00 0.00 N ATOM 0 H LYS A 79 6.035 -8.184 5.589 1.00 0.00 H new ATOM 0 HA LYS A 79 7.314 -10.194 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.416 -8.207 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.096 -8.854 6.606 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.502 -10.818 6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.772 -10.250 4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.691 -9.696 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.914 -8.235 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.493 -8.084 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.768 -7.927 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.423 -9.421 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.403 -10.145 8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.063 -10.503 8.203 1.00 0.00 H new ATOM 951 N GLY A 80 6.311 -12.157 5.156 1.00 0.00 N ATOM 952 CA GLY A 80 5.888 -13.361 5.821 1.00 0.00 C ATOM 953 C GLY A 80 4.911 -14.154 4.980 1.00 0.00 C ATOM 954 O GLY A 80 4.745 -15.355 5.190 1.00 0.00 O ATOM 0 H GLY A 80 6.196 -12.167 4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.759 -13.977 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.424 -13.106 6.774 1.00 0.00 H new ATOM 958 N LYS A 81 4.250 -13.495 4.027 1.00 0.00 N ATOM 959 CA LYS A 81 3.337 -14.212 3.147 1.00 0.00 C ATOM 960 C LYS A 81 3.680 -13.971 1.679 1.00 0.00 C ATOM 961 O LYS A 81 4.842 -14.075 1.290 1.00 0.00 O ATOM 962 CB LYS A 81 1.860 -13.886 3.446 1.00 0.00 C ATOM 963 CG LYS A 81 1.482 -12.412 3.354 1.00 0.00 C ATOM 964 CD LYS A 81 1.946 -11.615 4.560 1.00 0.00 C ATOM 965 CE LYS A 81 1.313 -12.109 5.856 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.170 -12.160 5.778 1.00 0.00 N ATOM 0 H LYS A 81 4.328 -12.494 3.850 1.00 0.00 H new ATOM 0 HA LYS A 81 3.468 -15.275 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.234 -14.448 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.623 -14.242 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.918 -11.985 2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.400 -12.323 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.031 -11.680 4.640 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.699 -10.563 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.696 -13.102 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.609 -11.453 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.563 -12.302 6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.528 -11.266 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.458 -12.948 5.163 1.00 0.00 H new ATOM 980 N THR A 82 2.688 -13.628 0.871 1.00 0.00 N ATOM 981 CA THR A 82 2.874 -13.593 -0.565 1.00 0.00 C ATOM 982 C THR A 82 2.220 -12.361 -1.167 1.00 0.00 C ATOM 983 O THR A 82 1.212 -11.875 -0.658 1.00 0.00 O ATOM 984 CB THR A 82 2.287 -14.861 -1.221 1.00 0.00 C ATOM 985 OG1 THR A 82 2.609 -16.012 -0.431 1.00 0.00 O ATOM 986 CG2 THR A 82 2.831 -15.054 -2.628 1.00 0.00 C ATOM 0 H THR A 82 1.752 -13.372 1.186 1.00 0.00 H new ATOM 0 HA THR A 82 3.946 -13.553 -0.759 1.00 0.00 H new ATOM 0 HB THR A 82 1.205 -14.739 -1.279 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.794 -16.360 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.400 -15.955 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.568 -14.192 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.916 -15.154 -2.588 1.00 0.00 H new ATOM 994 N LYS A 83 2.824 -11.856 -2.226 1.00 0.00 N ATOM 995 CA LYS A 83 2.310 -10.724 -2.983 1.00 0.00 C ATOM 996 C LYS A 83 0.818 -10.852 -3.287 1.00 0.00 C ATOM 997 O LYS A 83 0.047 -9.920 -3.060 1.00 0.00 O ATOM 998 CB LYS A 83 3.095 -10.589 -4.283 1.00 0.00 C ATOM 999 CG LYS A 83 3.695 -11.895 -4.782 1.00 0.00 C ATOM 1000 CD LYS A 83 4.265 -11.744 -6.172 1.00 0.00 C ATOM 1001 CE LYS A 83 5.357 -10.691 -6.217 1.00 0.00 C ATOM 1002 NZ LYS A 83 6.426 -10.954 -5.216 1.00 0.00 N ATOM 0 H LYS A 83 3.701 -12.225 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 83 2.435 -9.832 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.437 -10.186 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.897 -9.865 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.479 -12.221 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.930 -12.672 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.667 -12.700 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.469 -11.473 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.794 -10.664 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.922 -9.709 -6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.236 -10.329 -5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.059 -10.772 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.731 -11.946 -5.286 1.00 0.00 H new ATOM 1016 N VAL A 84 0.419 -12.001 -3.803 1.00 0.00 N ATOM 1017 CA VAL A 84 -0.966 -12.264 -4.102 1.00 0.00 C ATOM 1018 C VAL A 84 -1.855 -12.106 -2.856 1.00 0.00 C ATOM 1019 O VAL A 84 -2.954 -11.552 -2.930 1.00 0.00 O ATOM 1020 CB VAL A 84 -1.103 -13.674 -4.702 1.00 0.00 C ATOM 1021 CG1 VAL A 84 -0.612 -14.741 -3.740 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -2.525 -13.928 -5.096 1.00 0.00 C ATOM 0 H VAL A 84 1.049 -12.772 -4.024 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.308 -11.530 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.475 -13.726 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.724 -15.724 -4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.439 -14.567 -3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.197 -14.700 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.612 -14.929 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.166 -13.849 -4.218 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.834 -13.192 -5.838 1.00 0.00 H new ATOM 1032 N GLU A 85 -1.354 -12.568 -1.714 1.00 0.00 N ATOM 1033 CA GLU A 85 -2.080 -12.491 -0.452 1.00 0.00 C ATOM 1034 C GLU A 85 -2.136 -11.066 0.087 1.00 0.00 C ATOM 1035 O GLU A 85 -3.164 -10.632 0.601 1.00 0.00 O ATOM 1036 CB GLU A 85 -1.418 -13.386 0.588 1.00 0.00 C ATOM 1037 CG GLU A 85 -1.294 -14.833 0.160 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.693 -15.698 1.245 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.318 -15.831 2.316 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.405 -16.252 1.027 1.00 0.00 O ATOM 0 H GLU A 85 -0.436 -13.005 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.099 -12.826 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.425 -12.996 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.993 -13.339 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.279 -15.218 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.676 -14.894 -0.736 1.00 0.00 H new ATOM 1047 N VAL A 86 -1.026 -10.347 -0.012 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.949 -8.999 0.535 1.00 0.00 C ATOM 1049 C VAL A 86 -1.855 -8.046 -0.241 1.00 0.00 C ATOM 1050 O VAL A 86 -2.599 -7.260 0.348 1.00 0.00 O ATOM 1051 CB VAL A 86 0.503 -8.469 0.564 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.376 -9.371 1.416 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.098 -8.356 -0.821 1.00 0.00 C ATOM 0 H VAL A 86 -0.171 -10.672 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.298 -9.049 1.566 1.00 0.00 H new ATOM 0 HB VAL A 86 0.468 -7.469 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.396 -8.986 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.987 -9.398 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.374 -10.378 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.118 -7.980 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.106 -9.338 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.499 -7.669 -1.419 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.798 -8.139 -1.563 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.715 -7.406 -2.428 1.00 0.00 C ATOM 1065 C ALA A 87 -4.150 -7.831 -2.155 1.00 0.00 C ATOM 1066 O ALA A 87 -5.073 -7.021 -2.234 1.00 0.00 O ATOM 1067 CB ALA A 87 -2.375 -7.638 -3.887 1.00 0.00 C ATOM 0 H ALA A 87 -1.123 -8.718 -2.062 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.612 -6.343 -2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.071 -7.082 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.358 -7.297 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.451 -8.701 -4.114 1.00 0.00 H new ATOM 1073 N LYS A 88 -4.336 -9.109 -1.832 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.652 -9.614 -1.486 1.00 0.00 C ATOM 1075 C LYS A 88 -6.171 -8.927 -0.239 1.00 0.00 C ATOM 1076 O LYS A 88 -7.276 -8.425 -0.239 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.640 -11.113 -1.263 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.995 -11.646 -0.859 1.00 0.00 C ATOM 1079 CD LYS A 88 -7.017 -13.148 -0.871 1.00 0.00 C ATOM 1080 CE LYS A 88 -6.075 -13.704 0.172 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.007 -15.184 0.140 1.00 0.00 N ATOM 0 H LYS A 88 -3.593 -9.807 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.310 -9.398 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -5.314 -11.611 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.911 -11.357 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.248 -11.285 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.756 -11.264 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.030 -13.503 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.732 -13.513 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.078 -13.294 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.399 -13.379 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.349 -15.517 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.952 -15.579 0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.672 -15.496 -0.794 1.00 0.00 H new ATOM 1095 N MET A 89 -5.363 -8.908 0.817 1.00 0.00 N ATOM 1096 CA MET A 89 -5.729 -8.245 2.065 1.00 0.00 C ATOM 1097 C MET A 89 -6.149 -6.800 1.825 1.00 0.00 C ATOM 1098 O MET A 89 -7.072 -6.284 2.453 1.00 0.00 O ATOM 1099 CB MET A 89 -4.563 -8.305 3.021 1.00 0.00 C ATOM 1100 CG MET A 89 -4.338 -9.703 3.536 1.00 0.00 C ATOM 1101 SD MET A 89 -5.711 -10.303 4.539 1.00 0.00 S ATOM 1102 CE MET A 89 -5.194 -11.990 4.845 1.00 0.00 C ATOM 0 H MET A 89 -4.443 -9.348 0.833 1.00 0.00 H new ATOM 0 HA MET A 89 -6.584 -8.764 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.662 -7.952 2.519 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.745 -7.633 3.860 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.188 -10.377 2.693 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.423 -9.725 4.129 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.943 -12.495 5.455 1.00 0.00 H new ATOM 0 HE2 MET A 89 -5.085 -12.515 3.896 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.239 -11.988 5.370 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.470 -6.172 0.882 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.725 -4.790 0.521 1.00 0.00 C ATOM 1114 C ILE A 90 -7.042 -4.638 -0.255 1.00 0.00 C ATOM 1115 O ILE A 90 -7.722 -3.614 -0.140 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.513 -4.248 -0.275 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.377 -3.951 0.712 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.860 -3.015 -1.103 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -2.034 -3.698 0.071 1.00 0.00 C ATOM 0 H ILE A 90 -4.723 -6.609 0.343 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.844 -4.197 1.428 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.199 -5.007 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.650 -3.080 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.283 -4.791 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.974 -2.677 -1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.645 -3.265 -1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.210 -2.221 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.293 -3.497 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.733 -4.576 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.105 -2.838 -0.595 1.00 0.00 H new ATOM 1131 N GLN A 91 -7.404 -5.656 -1.031 1.00 0.00 N ATOM 1132 CA GLN A 91 -8.670 -5.662 -1.757 1.00 0.00 C ATOM 1133 C GLN A 91 -9.803 -6.294 -0.937 1.00 0.00 C ATOM 1134 O GLN A 91 -10.980 -6.015 -1.175 1.00 0.00 O ATOM 1135 CB GLN A 91 -8.490 -6.425 -3.062 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.506 -5.764 -4.006 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.220 -6.593 -5.239 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -7.897 -6.468 -6.259 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -6.207 -7.439 -5.159 1.00 0.00 N ATOM 0 H GLN A 91 -6.835 -6.491 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.952 -4.628 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.149 -7.436 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.456 -6.516 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.899 -4.794 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.572 -5.577 -3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.671 -7.512 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.962 -8.018 -5.962 1.00 0.00 H new ATOM 1148 N GLU A 92 -9.439 -7.139 0.018 1.00 0.00 N ATOM 1149 CA GLU A 92 -10.399 -7.882 0.829 1.00 0.00 C ATOM 1150 C GLU A 92 -11.181 -6.952 1.739 1.00 0.00 C ATOM 1151 O GLU A 92 -12.411 -7.025 1.814 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.665 -8.926 1.671 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.575 -9.777 2.528 1.00 0.00 C ATOM 1154 CD GLU A 92 -11.329 -10.824 1.733 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -12.418 -10.513 1.203 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -10.846 -11.973 1.648 1.00 0.00 O ATOM 0 H GLU A 92 -8.465 -7.331 0.254 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.101 -8.377 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.095 -9.577 1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.947 -8.418 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.982 -10.271 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.290 -9.133 3.040 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.452 -6.097 2.448 1.00 0.00 N ATOM 1164 CA VAL A 93 -11.063 -5.083 3.304 1.00 0.00 C ATOM 1165 C VAL A 93 -12.082 -4.256 2.520 1.00 0.00 C ATOM 1166 O VAL A 93 -13.083 -3.822 3.082 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.997 -4.161 3.939 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -9.023 -4.981 4.770 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.245 -3.360 2.887 1.00 0.00 C ATOM 0 H VAL A 93 -9.432 -6.085 2.447 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.580 -5.603 4.111 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.515 -3.453 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.277 -4.321 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.565 -5.498 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.527 -5.713 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.505 -2.725 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.743 -4.042 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.948 -2.739 2.332 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.813 -4.069 1.225 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.773 -3.497 0.276 1.00 0.00 C ATOM 1181 C LYS A 94 -13.182 -2.063 0.614 1.00 0.00 C ATOM 1182 O LYS A 94 -13.752 -1.782 1.669 1.00 0.00 O ATOM 1183 CB LYS A 94 -14.019 -4.382 0.186 1.00 0.00 C ATOM 1184 CG LYS A 94 -15.021 -3.909 -0.852 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.226 -4.828 -0.922 1.00 0.00 C ATOM 1186 CE LYS A 94 -17.162 -4.422 -2.046 1.00 0.00 C ATOM 1187 NZ LYS A 94 -18.262 -5.400 -2.238 1.00 0.00 N ATOM 0 H LYS A 94 -10.917 -4.312 0.802 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.265 -3.461 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.715 -5.401 -0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.505 -4.413 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -15.347 -2.898 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.540 -3.863 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.895 -5.855 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.761 -4.803 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -17.584 -3.441 -1.829 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.596 -4.328 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -18.877 -5.083 -3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -17.862 -6.331 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -18.819 -5.472 -1.363 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.894 -1.155 -0.302 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.362 0.203 -0.155 1.00 0.00 C ATOM 1203 C GLY A 95 -12.328 1.127 0.443 1.00 0.00 C ATOM 1204 O GLY A 95 -12.255 2.290 0.075 1.00 0.00 O ATOM 0 H GLY A 95 -12.345 -1.334 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.660 0.585 -1.131 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.252 0.208 0.475 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.495 0.608 1.332 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.599 1.450 2.085 1.00 0.00 C ATOM 1210 C GLU A 96 -9.201 0.847 2.117 1.00 0.00 C ATOM 1211 O GLU A 96 -8.962 -0.223 1.554 1.00 0.00 O ATOM 1212 CB GLU A 96 -11.127 1.634 3.496 1.00 0.00 C ATOM 1213 CG GLU A 96 -11.119 0.348 4.285 1.00 0.00 C ATOM 1214 CD GLU A 96 -11.671 0.515 5.682 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -10.901 0.890 6.590 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -12.881 0.275 5.879 1.00 0.00 O ATOM 0 H GLU A 96 -11.426 -0.387 1.544 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.541 2.424 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -10.522 2.378 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -12.144 2.024 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.706 -0.402 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.098 -0.030 4.345 1.00 0.00 H new ATOM 1223 N VAL A 97 -8.280 1.548 2.762 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.873 1.138 2.808 1.00 0.00 C ATOM 1225 C VAL A 97 -6.189 1.652 4.077 1.00 0.00 C ATOM 1226 O VAL A 97 -6.544 2.710 4.606 1.00 0.00 O ATOM 1227 CB VAL A 97 -6.054 1.626 1.565 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.950 2.059 0.428 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.123 2.765 1.910 1.00 0.00 C ATOM 0 H VAL A 97 -8.479 2.412 3.267 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.885 0.048 2.803 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.464 0.766 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.338 2.389 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.573 1.221 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.586 2.880 0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.576 3.071 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.703 3.608 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.418 2.440 2.675 1.00 0.00 H new ATOM 1239 N THR A 98 -5.219 0.887 4.558 1.00 0.00 N ATOM 1240 CA THR A 98 -4.370 1.302 5.665 1.00 0.00 C ATOM 1241 C THR A 98 -2.926 0.852 5.430 1.00 0.00 C ATOM 1242 O THR A 98 -2.616 -0.339 5.525 1.00 0.00 O ATOM 1243 CB THR A 98 -4.887 0.728 6.996 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.525 -0.535 6.762 1.00 0.00 O ATOM 1245 CG2 THR A 98 -5.863 1.687 7.662 1.00 0.00 C ATOM 0 H THR A 98 -4.999 -0.039 4.191 1.00 0.00 H new ATOM 0 HA THR A 98 -4.398 2.390 5.721 1.00 0.00 H new ATOM 0 HB THR A 98 -4.037 0.589 7.665 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.231 -0.673 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.213 1.257 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.363 2.635 7.861 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.713 1.857 7.002 1.00 0.00 H new ATOM 1253 N ILE A 99 -2.048 1.793 5.105 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.657 1.457 4.819 1.00 0.00 C ATOM 1255 C ILE A 99 0.242 1.732 6.008 1.00 0.00 C ATOM 1256 O ILE A 99 0.058 2.710 6.729 1.00 0.00 O ATOM 1257 CB ILE A 99 -0.061 2.205 3.595 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.610 3.632 3.456 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.286 1.413 2.315 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.955 3.712 2.768 1.00 0.00 C ATOM 0 H ILE A 99 -2.270 2.786 5.033 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.685 0.392 4.590 1.00 0.00 H new ATOM 0 HB ILE A 99 1.012 2.292 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.694 4.076 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.108 4.233 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.140 1.956 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.196 0.439 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.355 1.275 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.272 4.753 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.874 3.300 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.689 3.140 3.336 1.00 0.00 H new ATOM 1272 N HIS A 100 1.207 0.850 6.206 1.00 0.00 N ATOM 1273 CA HIS A 100 2.244 1.051 7.201 1.00 0.00 C ATOM 1274 C HIS A 100 3.587 1.105 6.496 1.00 0.00 C ATOM 1275 O HIS A 100 3.969 0.153 5.806 1.00 0.00 O ATOM 1276 CB HIS A 100 2.248 -0.078 8.238 1.00 0.00 C ATOM 1277 CG HIS A 100 1.100 -0.049 9.202 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.267 -0.164 10.561 1.00 0.00 N ATOM 1279 CD2 HIS A 100 -0.234 0.057 8.999 1.00 0.00 C ATOM 1280 CE1 HIS A 100 0.091 -0.130 11.155 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.840 0.006 10.231 1.00 0.00 N ATOM 0 H HIS A 100 1.293 -0.022 5.683 1.00 0.00 H new ATOM 0 HA HIS A 100 2.052 1.985 7.728 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.240 -1.034 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.179 -0.031 8.802 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.730 0.162 8.045 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.081 -0.201 12.219 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.844 0.064 10.403 1.00 0.00 H new ATOM 1290 N TYR A 101 4.301 2.203 6.654 1.00 0.00 N ATOM 1291 CA TYR A 101 5.549 2.392 5.937 1.00 0.00 C ATOM 1292 C TYR A 101 6.636 2.962 6.842 1.00 0.00 C ATOM 1293 O TYR A 101 6.387 3.297 8.000 1.00 0.00 O ATOM 1294 CB TYR A 101 5.334 3.287 4.707 1.00 0.00 C ATOM 1295 CG TYR A 101 4.729 4.640 5.010 1.00 0.00 C ATOM 1296 CD1 TYR A 101 3.351 4.808 5.072 1.00 0.00 C ATOM 1297 CD2 TYR A 101 5.534 5.750 5.222 1.00 0.00 C ATOM 1298 CE1 TYR A 101 2.794 6.043 5.339 1.00 0.00 C ATOM 1299 CE2 TYR A 101 4.986 6.988 5.490 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.617 7.129 5.548 1.00 0.00 C ATOM 1301 OH TYR A 101 3.071 8.361 5.814 1.00 0.00 O ATOM 0 H TYR A 101 4.041 2.974 7.269 1.00 0.00 H new ATOM 0 HA TYR A 101 5.889 1.414 5.597 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.293 3.436 4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.687 2.764 4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.705 3.958 4.909 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.608 5.643 5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 101 1.721 6.157 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.627 7.842 5.653 1.00 0.00 H new ATOM 0 HH TYR A 101 3.788 9.017 5.937 1.00 0.00 H new ATOM 1311 N ASN A 102 7.837 3.062 6.291 1.00 0.00 N ATOM 1312 CA ASN A 102 9.007 3.523 7.021 1.00 0.00 C ATOM 1313 C ASN A 102 10.101 3.827 6.004 1.00 0.00 C ATOM 1314 O ASN A 102 9.833 3.842 4.801 1.00 0.00 O ATOM 1315 CB ASN A 102 9.469 2.465 8.047 1.00 0.00 C ATOM 1316 CG ASN A 102 10.368 1.389 7.463 1.00 0.00 C ATOM 1317 OD1 ASN A 102 11.590 1.497 7.524 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.778 0.349 6.901 1.00 0.00 N ATOM 0 H ASN A 102 8.027 2.824 5.318 1.00 0.00 H new ATOM 0 HA ASN A 102 8.769 4.423 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.999 2.966 8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 102 8.591 1.991 8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.341 -0.400 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 102 8.760 0.296 6.870 1.00 0.00 H new ATOM 1325 N LYS A 103 11.319 4.064 6.466 1.00 0.00 N ATOM 1326 CA LYS A 103 12.403 4.447 5.581 1.00 0.00 C ATOM 1327 C LYS A 103 13.689 3.834 6.080 1.00 0.00 C ATOM 1328 O LYS A 103 14.327 4.365 6.993 1.00 0.00 O ATOM 1329 CB LYS A 103 12.542 5.970 5.494 1.00 0.00 C ATOM 1330 CG LYS A 103 11.448 6.641 4.675 1.00 0.00 C ATOM 1331 CD LYS A 103 10.264 7.063 5.517 1.00 0.00 C ATOM 1332 CE LYS A 103 9.247 7.761 4.645 1.00 0.00 C ATOM 1333 NZ LYS A 103 8.059 8.227 5.404 1.00 0.00 N ATOM 0 H LYS A 103 11.580 3.997 7.450 1.00 0.00 H new ATOM 0 HA LYS A 103 12.181 4.079 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.534 6.384 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 103 13.511 6.213 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 103 11.861 7.515 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 103 11.110 5.956 3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.814 6.192 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.591 7.728 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.718 8.614 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.924 7.081 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.669 9.078 4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.337 7.478 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.337 8.451 6.381 1.00 0.00 H new ATOM 1347 N LEU A 104 14.064 2.709 5.504 1.00 0.00 N ATOM 1348 CA LEU A 104 15.181 1.966 6.030 1.00 0.00 C ATOM 1349 C LEU A 104 16.233 1.620 5.007 1.00 0.00 C ATOM 1350 O LEU A 104 15.943 1.195 3.889 1.00 0.00 O ATOM 1351 CB LEU A 104 14.706 0.699 6.727 1.00 0.00 C ATOM 1352 CG LEU A 104 14.707 0.821 8.238 1.00 0.00 C ATOM 1353 CD1 LEU A 104 14.284 -0.464 8.915 1.00 0.00 C ATOM 1354 CD2 LEU A 104 16.081 1.259 8.702 1.00 0.00 C ATOM 0 H LEU A 104 13.617 2.298 4.685 1.00 0.00 H new ATOM 0 HA LEU A 104 15.658 2.635 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 104 13.698 0.460 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.347 -0.133 6.434 1.00 0.00 H new ATOM 0 HG LEU A 104 13.971 1.573 8.523 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.300 -0.328 9.996 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.275 -0.728 8.597 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.972 -1.264 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 104 16.087 1.348 9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 104 16.821 0.520 8.395 1.00 0.00 H new ATOM 0 HD23 LEU A 104 16.325 2.224 8.257 1.00 0.00 H new ATOM 1366 N GLN A 105 17.465 1.835 5.416 1.00 0.00 N ATOM 1367 CA GLN A 105 18.605 1.284 4.734 1.00 0.00 C ATOM 1368 C GLN A 105 19.628 0.843 5.768 1.00 0.00 C ATOM 1369 O GLN A 105 20.375 1.651 6.320 1.00 0.00 O ATOM 1370 CB GLN A 105 19.191 2.271 3.716 1.00 0.00 C ATOM 1371 CG GLN A 105 19.430 3.672 4.260 1.00 0.00 C ATOM 1372 CD GLN A 105 19.904 4.632 3.188 1.00 0.00 C ATOM 1373 OE1 GLN A 105 19.558 4.493 2.012 1.00 0.00 O ATOM 1374 NE2 GLN A 105 20.695 5.614 3.584 1.00 0.00 N ATOM 0 H GLN A 105 17.700 2.399 6.233 1.00 0.00 H new ATOM 0 HA GLN A 105 18.295 0.415 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 105 20.136 1.873 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 105 18.516 2.337 2.863 1.00 0.00 H new ATOM 0 HG2 GLN A 105 18.508 4.050 4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 105 20.171 3.628 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.957 5.693 4.567 1.00 0.00 H new ATOM 0 HE22 GLN A 105 21.043 6.293 2.907 1.00 0.00 H new ATOM 1383 N ALA A 106 19.612 -0.452 6.049 1.00 0.00 N ATOM 1384 CA ALA A 106 20.408 -1.029 7.118 1.00 0.00 C ATOM 1385 C ALA A 106 21.902 -0.859 6.875 1.00 0.00 C ATOM 1386 O ALA A 106 22.342 -0.583 5.759 1.00 0.00 O ATOM 1387 CB ALA A 106 20.062 -2.499 7.286 1.00 0.00 C ATOM 0 H ALA A 106 19.046 -1.131 5.541 1.00 0.00 H new ATOM 0 HA ALA A 106 20.168 -0.493 8.036 1.00 0.00 H new ATOM 0 HB1 ALA A 106 20.663 -2.925 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 106 19.005 -2.598 7.532 1.00 0.00 H new ATOM 0 HB3 ALA A 106 20.270 -3.030 6.357 1.00 0.00 H new ATOM 1393 N ASP A 107 22.667 -1.052 7.932 1.00 0.00 N ATOM 1394 CA ASP A 107 24.115 -0.889 7.896 1.00 0.00 C ATOM 1395 C ASP A 107 24.723 -2.174 8.406 1.00 0.00 C ATOM 1396 O ASP A 107 24.056 -2.859 9.155 1.00 0.00 O ATOM 1397 CB ASP A 107 24.549 0.286 8.781 1.00 0.00 C ATOM 1398 CG ASP A 107 23.996 1.618 8.317 1.00 0.00 C ATOM 1399 OD1 ASP A 107 24.578 2.220 7.388 1.00 0.00 O ATOM 1400 OD2 ASP A 107 22.978 2.072 8.884 1.00 0.00 O ATOM 0 H ASP A 107 22.305 -1.327 8.845 1.00 0.00 H new ATOM 0 HA ASP A 107 24.448 -0.676 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 107 24.223 0.101 9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 107 25.638 0.338 8.797 1.00 0.00 H new ATOM 1405 N PRO A 108 25.979 -2.506 8.044 1.00 0.00 N ATOM 1406 CA PRO A 108 26.599 -3.813 8.329 1.00 0.00 C ATOM 1407 C PRO A 108 26.106 -4.491 9.617 1.00 0.00 C ATOM 1408 O PRO A 108 25.616 -5.620 9.575 1.00 0.00 O ATOM 1409 CB PRO A 108 28.069 -3.438 8.440 1.00 0.00 C ATOM 1410 CG PRO A 108 28.248 -2.353 7.430 1.00 0.00 C ATOM 1411 CD PRO A 108 26.923 -1.630 7.322 1.00 0.00 C ATOM 0 HA PRO A 108 26.359 -4.551 7.563 1.00 0.00 H new ATOM 0 HB2 PRO A 108 28.317 -3.093 9.444 1.00 0.00 H new ATOM 0 HB3 PRO A 108 28.714 -4.290 8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 108 29.038 -1.667 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 108 28.541 -2.768 6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 108 26.971 -0.638 7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 108 26.626 -1.494 6.282 1.00 0.00 H new ATOM 1419 N LYS A 109 26.210 -3.787 10.742 1.00 0.00 N ATOM 1420 CA LYS A 109 25.764 -4.308 12.040 1.00 0.00 C ATOM 1421 C LYS A 109 24.293 -4.724 12.024 1.00 0.00 C ATOM 1422 O LYS A 109 23.931 -5.802 12.487 1.00 0.00 O ATOM 1423 CB LYS A 109 25.961 -3.248 13.127 1.00 0.00 C ATOM 1424 CG LYS A 109 25.326 -1.901 12.795 1.00 0.00 C ATOM 1425 CD LYS A 109 25.418 -0.926 13.963 1.00 0.00 C ATOM 1426 CE LYS A 109 26.854 -0.718 14.427 1.00 0.00 C ATOM 1427 NZ LYS A 109 27.720 -0.146 13.363 1.00 0.00 N ATOM 0 H LYS A 109 26.602 -2.846 10.784 1.00 0.00 H new ATOM 0 HA LYS A 109 26.367 -5.191 12.250 1.00 0.00 H new ATOM 0 HB2 LYS A 109 25.540 -3.617 14.062 1.00 0.00 H new ATOM 0 HB3 LYS A 109 27.029 -3.105 13.293 1.00 0.00 H new ATOM 0 HG2 LYS A 109 25.820 -1.471 11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 109 24.280 -2.049 12.527 1.00 0.00 H new ATOM 0 HD2 LYS A 109 24.991 0.033 13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 24.820 -1.300 14.794 1.00 0.00 H new ATOM 0 HE2 LYS A 109 26.860 -0.054 15.292 1.00 0.00 H new ATOM 0 HE3 LYS A 109 27.268 -1.672 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 28.668 0.039 13.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 27.793 -0.820 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 27.306 0.744 13.020 1.00 0.00 H new ATOM 1441 N GLN A 110 23.466 -3.853 11.485 1.00 0.00 N ATOM 1442 CA GLN A 110 22.031 -4.024 11.464 1.00 0.00 C ATOM 1443 C GLN A 110 21.597 -4.810 10.239 1.00 0.00 C ATOM 1444 O GLN A 110 20.491 -5.345 10.177 1.00 0.00 O ATOM 1445 CB GLN A 110 21.381 -2.651 11.470 1.00 0.00 C ATOM 1446 CG GLN A 110 21.450 -1.949 12.807 1.00 0.00 C ATOM 1447 CD GLN A 110 20.817 -2.756 13.921 1.00 0.00 C ATOM 1448 OE1 GLN A 110 21.484 -3.551 14.582 1.00 0.00 O ATOM 1449 NE2 GLN A 110 19.526 -2.562 14.135 1.00 0.00 N ATOM 0 H GLN A 110 23.780 -2.990 11.041 1.00 0.00 H new ATOM 0 HA GLN A 110 21.719 -4.587 12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 110 21.864 -2.028 10.717 1.00 0.00 H new ATOM 0 HB3 GLN A 110 20.336 -2.753 11.177 1.00 0.00 H new ATOM 0 HG2 GLN A 110 22.492 -1.749 13.055 1.00 0.00 H new ATOM 0 HG3 GLN A 110 20.949 -0.984 12.733 1.00 0.00 H new ATOM 0 HE21 GLN A 110 19.009 -1.893 13.564 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.047 -3.081 14.871 1.00 0.00 H new ATOM 1458 N LEU A 111 22.491 -4.883 9.275 1.00 0.00 N ATOM 1459 CA LEU A 111 22.223 -5.537 8.018 1.00 0.00 C ATOM 1460 C LEU A 111 22.323 -7.041 8.211 1.00 0.00 C ATOM 1461 O LEU A 111 21.458 -7.791 7.768 1.00 0.00 O ATOM 1462 CB LEU A 111 23.215 -5.022 6.960 1.00 0.00 C ATOM 1463 CG LEU A 111 23.057 -5.554 5.524 1.00 0.00 C ATOM 1464 CD1 LEU A 111 23.607 -6.966 5.391 1.00 0.00 C ATOM 1465 CD2 LEU A 111 21.599 -5.505 5.094 1.00 0.00 C ATOM 0 H LEU A 111 23.428 -4.487 9.345 1.00 0.00 H new ATOM 0 HA LEU A 111 21.216 -5.310 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 111 23.139 -3.935 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 111 24.223 -5.261 7.299 1.00 0.00 H new ATOM 0 HG LEU A 111 23.637 -4.909 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 111 23.480 -7.311 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 111 24.667 -6.969 5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 111 23.069 -7.631 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 111 21.507 -5.885 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 111 21.000 -6.120 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 111 21.243 -4.475 5.130 1.00 0.00 H new ATOM 1477 N GLU A 112 23.372 -7.473 8.904 1.00 0.00 N ATOM 1478 CA GLU A 112 23.553 -8.887 9.205 1.00 0.00 C ATOM 1479 C GLU A 112 22.423 -9.384 10.102 1.00 0.00 C ATOM 1480 O GLU A 112 22.077 -10.564 10.082 1.00 0.00 O ATOM 1481 CB GLU A 112 24.896 -9.126 9.888 1.00 0.00 C ATOM 1482 CG GLU A 112 25.052 -8.330 11.165 1.00 0.00 C ATOM 1483 CD GLU A 112 26.131 -8.880 12.065 1.00 0.00 C ATOM 1484 OE1 GLU A 112 25.876 -9.891 12.753 1.00 0.00 O ATOM 1485 OE2 GLU A 112 27.241 -8.310 12.086 1.00 0.00 O ATOM 0 H GLU A 112 24.107 -6.866 9.266 1.00 0.00 H new ATOM 0 HA GLU A 112 23.535 -9.440 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 112 25.001 -10.188 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 112 25.700 -8.864 9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 112 25.284 -7.294 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.104 -8.324 11.703 1.00 0.00 H new ATOM 1492 N VAL A 113 21.857 -8.466 10.883 1.00 0.00 N ATOM 1493 CA VAL A 113 20.701 -8.753 11.724 1.00 0.00 C ATOM 1494 C VAL A 113 19.520 -9.185 10.863 1.00 0.00 C ATOM 1495 O VAL A 113 18.799 -10.127 11.192 1.00 0.00 O ATOM 1496 CB VAL A 113 20.309 -7.512 12.558 1.00 0.00 C ATOM 1497 CG1 VAL A 113 19.007 -7.728 13.307 1.00 0.00 C ATOM 1498 CG2 VAL A 113 21.419 -7.158 13.528 1.00 0.00 C ATOM 0 H VAL A 113 22.188 -7.503 10.949 1.00 0.00 H new ATOM 0 HA VAL A 113 20.967 -9.562 12.404 1.00 0.00 H new ATOM 0 HB VAL A 113 20.160 -6.683 11.866 1.00 0.00 H new ATOM 0 HG11 VAL A 113 18.765 -6.834 13.882 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.207 -7.929 12.595 1.00 0.00 H new ATOM 0 HG13 VAL A 113 19.113 -8.576 13.983 1.00 0.00 H new ATOM 0 HG21 VAL A 113 21.129 -6.282 14.109 1.00 0.00 H new ATOM 0 HG22 VAL A 113 21.596 -7.997 14.201 1.00 0.00 H new ATOM 0 HG23 VAL A 113 22.331 -6.940 12.973 1.00 0.00 H new ATOM 1508 N LEU A 114 19.346 -8.503 9.745 1.00 0.00 N ATOM 1509 CA LEU A 114 18.295 -8.831 8.804 1.00 0.00 C ATOM 1510 C LEU A 114 18.720 -10.014 7.949 1.00 0.00 C ATOM 1511 O LEU A 114 17.893 -10.768 7.436 1.00 0.00 O ATOM 1512 CB LEU A 114 18.000 -7.624 7.915 1.00 0.00 C ATOM 1513 CG LEU A 114 17.444 -6.393 8.636 1.00 0.00 C ATOM 1514 CD1 LEU A 114 17.245 -5.248 7.656 1.00 0.00 C ATOM 1515 CD2 LEU A 114 16.135 -6.726 9.337 1.00 0.00 C ATOM 0 H LEU A 114 19.926 -7.712 9.467 1.00 0.00 H new ATOM 0 HA LEU A 114 17.392 -9.096 9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 114 18.919 -7.339 7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 114 17.288 -7.926 7.147 1.00 0.00 H new ATOM 0 HG LEU A 114 18.167 -6.083 9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.849 -4.381 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 114 18.200 -4.990 7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 114 16.542 -5.551 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.757 -5.838 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 114 15.404 -7.063 8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 114 16.305 -7.516 10.069 1.00 0.00 H new ATOM 1527 N PHE A 115 20.026 -10.181 7.832 1.00 0.00 N ATOM 1528 CA PHE A 115 20.605 -11.221 6.999 1.00 0.00 C ATOM 1529 C PHE A 115 20.864 -12.483 7.824 1.00 0.00 C ATOM 1530 O PHE A 115 21.794 -13.240 7.556 1.00 0.00 O ATOM 1531 CB PHE A 115 21.909 -10.705 6.391 1.00 0.00 C ATOM 1532 CG PHE A 115 22.352 -11.424 5.146 1.00 0.00 C ATOM 1533 CD1 PHE A 115 21.729 -11.179 3.934 1.00 0.00 C ATOM 1534 CD2 PHE A 115 23.397 -12.334 5.187 1.00 0.00 C ATOM 1535 CE1 PHE A 115 22.138 -11.829 2.786 1.00 0.00 C ATOM 1536 CE2 PHE A 115 23.808 -12.987 4.042 1.00 0.00 C ATOM 1537 CZ PHE A 115 23.178 -12.734 2.841 1.00 0.00 C ATOM 0 H PHE A 115 20.714 -9.600 8.311 1.00 0.00 H new ATOM 0 HA PHE A 115 19.908 -11.476 6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 115 21.792 -9.646 6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 115 22.698 -10.783 7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 115 20.914 -10.472 3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 115 23.895 -12.534 6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 115 21.644 -11.629 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 115 24.622 -13.695 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 115 23.499 -13.244 1.945 1.00 0.00 H new ATOM 1547 N GLN A 116 20.043 -12.702 8.841 1.00 0.00 N ATOM 1548 CA GLN A 116 20.171 -13.887 9.680 1.00 0.00 C ATOM 1549 C GLN A 116 19.341 -15.032 9.121 1.00 0.00 C ATOM 1550 O GLN A 116 19.137 -16.048 9.782 1.00 0.00 O ATOM 1551 CB GLN A 116 19.731 -13.591 11.112 1.00 0.00 C ATOM 1552 CG GLN A 116 20.676 -12.675 11.869 1.00 0.00 C ATOM 1553 CD GLN A 116 20.237 -12.436 13.299 1.00 0.00 C ATOM 1554 OE1 GLN A 116 19.044 -12.455 13.612 1.00 0.00 O ATOM 1555 NE2 GLN A 116 21.195 -12.211 14.180 1.00 0.00 N ATOM 0 H GLN A 116 19.282 -12.076 9.106 1.00 0.00 H new ATOM 0 HA GLN A 116 21.222 -14.176 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 116 18.740 -13.137 11.091 1.00 0.00 H new ATOM 0 HB3 GLN A 116 19.639 -14.531 11.655 1.00 0.00 H new ATOM 0 HG2 GLN A 116 21.676 -13.110 11.868 1.00 0.00 H new ATOM 0 HG3 GLN A 116 20.743 -11.719 11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 116 22.170 -12.203 13.882 1.00 0.00 H new ATOM 0 HE22 GLN A 116 20.959 -12.045 15.158 1.00 0.00 H new ATOM 1564 N GLY A 117 18.863 -14.858 7.905 1.00 0.00 N ATOM 1565 CA GLY A 117 18.032 -15.857 7.281 1.00 0.00 C ATOM 1566 C GLY A 117 17.095 -15.205 6.304 1.00 0.00 C ATOM 1567 O GLY A 117 15.883 -15.413 6.361 1.00 0.00 O ATOM 0 H GLY A 117 19.038 -14.032 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 117 18.654 -16.591 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 117 17.464 -16.395 8.039 1.00 0.00 H new ATOM 1571 N PRO A 118 17.644 -14.386 5.393 1.00 0.00 N ATOM 1572 CA PRO A 118 16.865 -13.518 4.523 1.00 0.00 C ATOM 1573 C PRO A 118 15.918 -14.278 3.594 1.00 0.00 C ATOM 1574 O PRO A 118 14.978 -13.692 3.055 1.00 0.00 O ATOM 1575 CB PRO A 118 17.936 -12.788 3.712 1.00 0.00 C ATOM 1576 CG PRO A 118 19.111 -13.679 3.764 1.00 0.00 C ATOM 1577 CD PRO A 118 19.081 -14.215 5.146 1.00 0.00 C ATOM 0 HA PRO A 118 16.210 -12.863 5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 118 17.611 -12.620 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 118 18.160 -11.811 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 118 19.043 -14.476 3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 118 20.035 -13.136 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 118 19.621 -15.158 5.227 1.00 0.00 H new ATOM 0 HD3 PRO A 118 19.535 -13.526 5.858 1.00 0.00 H new ATOM 1585 N GLN A 119 16.179 -15.578 3.423 1.00 0.00 N ATOM 1586 CA GLN A 119 15.399 -16.435 2.531 1.00 0.00 C ATOM 1587 C GLN A 119 15.623 -16.024 1.080 1.00 0.00 C ATOM 1588 O GLN A 119 14.882 -15.212 0.530 1.00 0.00 O ATOM 1589 CB GLN A 119 13.906 -16.392 2.890 1.00 0.00 C ATOM 1590 CG GLN A 119 13.052 -17.358 2.088 1.00 0.00 C ATOM 1591 CD GLN A 119 11.601 -17.343 2.522 1.00 0.00 C ATOM 1592 OE1 GLN A 119 10.784 -16.592 1.989 1.00 0.00 O ATOM 1593 NE2 GLN A 119 11.272 -18.167 3.499 1.00 0.00 N ATOM 0 H GLN A 119 16.938 -16.064 3.901 1.00 0.00 H new ATOM 0 HA GLN A 119 15.738 -17.463 2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 119 13.791 -16.615 3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.534 -15.379 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 119 13.115 -17.102 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 119 13.450 -18.367 2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 119 11.979 -18.774 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 119 10.311 -18.197 3.839 1.00 0.00 H new ATOM 1602 N PHE A 120 16.653 -16.594 0.472 1.00 0.00 N ATOM 1603 CA PHE A 120 17.064 -16.227 -0.881 1.00 0.00 C ATOM 1604 C PHE A 120 16.003 -16.631 -1.903 1.00 0.00 C ATOM 1605 O PHE A 120 16.015 -17.749 -2.421 1.00 0.00 O ATOM 1606 CB PHE A 120 18.403 -16.887 -1.219 1.00 0.00 C ATOM 1607 CG PHE A 120 19.474 -16.634 -0.194 1.00 0.00 C ATOM 1608 CD1 PHE A 120 20.151 -15.427 -0.162 1.00 0.00 C ATOM 1609 CD2 PHE A 120 19.801 -17.605 0.739 1.00 0.00 C ATOM 1610 CE1 PHE A 120 21.133 -15.191 0.781 1.00 0.00 C ATOM 1611 CE2 PHE A 120 20.782 -17.375 1.684 1.00 0.00 C ATOM 1612 CZ PHE A 120 21.449 -16.167 1.704 1.00 0.00 C ATOM 0 H PHE A 120 17.227 -17.321 0.898 1.00 0.00 H new ATOM 0 HA PHE A 120 17.180 -15.144 -0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 120 18.254 -17.962 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 120 18.745 -16.521 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 120 19.909 -14.660 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 120 19.283 -18.553 0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 120 21.652 -14.244 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 120 21.027 -18.140 2.406 1.00 0.00 H new ATOM 0 HZ PHE A 120 22.217 -15.986 2.441 1.00 0.00 H new ATOM 1622 N THR A 121 15.096 -15.711 -2.190 1.00 0.00 N ATOM 1623 CA THR A 121 13.967 -15.983 -3.066 1.00 0.00 C ATOM 1624 C THR A 121 13.680 -14.790 -3.973 1.00 0.00 C ATOM 1625 O THR A 121 13.656 -13.649 -3.515 1.00 0.00 O ATOM 1626 CB THR A 121 12.710 -16.313 -2.240 1.00 0.00 C ATOM 1627 OG1 THR A 121 12.635 -15.442 -1.101 1.00 0.00 O ATOM 1628 CG2 THR A 121 12.715 -17.763 -1.778 1.00 0.00 C ATOM 0 H THR A 121 15.121 -14.759 -1.824 1.00 0.00 H new ATOM 0 HA THR A 121 14.227 -16.842 -3.685 1.00 0.00 H new ATOM 0 HB THR A 121 11.838 -16.163 -2.877 1.00 0.00 H new ATOM 0 HG1 THR A 121 13.430 -15.566 -0.542 1.00 0.00 H new ATOM 0 HG21 THR A 121 11.814 -17.963 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 121 12.741 -18.421 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.593 -17.944 -1.159 1.00 0.00 H new ATOM 1636 N LEU A 122 13.460 -15.059 -5.254 1.00 0.00 N ATOM 1637 CA LEU A 122 13.215 -14.006 -6.235 1.00 0.00 C ATOM 1638 C LEU A 122 11.831 -13.398 -6.028 1.00 0.00 C ATOM 1639 O LEU A 122 10.815 -14.024 -6.332 1.00 0.00 O ATOM 1640 CB LEU A 122 13.336 -14.548 -7.669 1.00 0.00 C ATOM 1641 CG LEU A 122 14.747 -14.945 -8.135 1.00 0.00 C ATOM 1642 CD1 LEU A 122 15.733 -13.816 -7.885 1.00 0.00 C ATOM 1643 CD2 LEU A 122 15.214 -16.227 -7.459 1.00 0.00 C ATOM 0 H LEU A 122 13.446 -16.003 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 122 13.971 -13.234 -6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.689 -15.420 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.951 -13.792 -8.353 1.00 0.00 H new ATOM 0 HG LEU A 122 14.702 -15.132 -9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 122 16.725 -14.118 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.417 -12.929 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.765 -13.590 -6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 122 16.214 -16.480 -7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 122 15.234 -16.082 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.528 -17.038 -7.703 1.00 0.00 H new ATOM 1655 N ARG A 123 11.789 -12.190 -5.485 1.00 0.00 N ATOM 1656 CA ARG A 123 10.526 -11.514 -5.225 1.00 0.00 C ATOM 1657 C ARG A 123 10.241 -10.456 -6.282 1.00 0.00 C ATOM 1658 O ARG A 123 10.819 -9.370 -6.268 1.00 0.00 O ATOM 1659 CB ARG A 123 10.524 -10.884 -3.831 1.00 0.00 C ATOM 1660 CG ARG A 123 9.757 -11.681 -2.779 1.00 0.00 C ATOM 1661 CD ARG A 123 10.346 -13.066 -2.528 1.00 0.00 C ATOM 1662 NE ARG A 123 10.021 -14.022 -3.587 1.00 0.00 N ATOM 1663 CZ ARG A 123 9.516 -15.237 -3.370 1.00 0.00 C ATOM 1664 NH1 ARG A 123 9.268 -15.652 -2.129 1.00 0.00 N ATOM 1665 NH2 ARG A 123 9.273 -16.042 -4.396 1.00 0.00 N ATOM 0 H ARG A 123 12.616 -11.657 -5.216 1.00 0.00 H new ATOM 0 HA ARG A 123 9.735 -12.263 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 123 11.555 -10.765 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.093 -9.885 -3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.748 -11.122 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.720 -11.786 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.429 -12.984 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG A 123 9.976 -13.446 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 123 10.192 -13.741 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.464 -15.039 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.882 -16.583 -1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.472 -15.731 -5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.887 -16.972 -4.234 1.00 0.00 H new ATOM 1679 N HIS A 124 9.341 -10.792 -7.194 1.00 0.00 N ATOM 1680 CA HIS A 124 8.947 -9.892 -8.273 1.00 0.00 C ATOM 1681 C HIS A 124 8.101 -8.737 -7.738 1.00 0.00 C ATOM 1682 O HIS A 124 7.662 -8.759 -6.585 1.00 0.00 O ATOM 1683 CB HIS A 124 8.169 -10.667 -9.339 1.00 0.00 C ATOM 1684 CG HIS A 124 9.006 -11.643 -10.112 1.00 0.00 C ATOM 1685 ND1 HIS A 124 9.506 -11.376 -11.368 1.00 0.00 N ATOM 1686 CD2 HIS A 124 9.422 -12.896 -9.805 1.00 0.00 C ATOM 1687 CE1 HIS A 124 10.191 -12.417 -11.798 1.00 0.00 C ATOM 1688 NE2 HIS A 124 10.158 -13.352 -10.870 1.00 0.00 N ATOM 0 H HIS A 124 8.863 -11.693 -7.209 1.00 0.00 H new ATOM 0 HA HIS A 124 9.849 -9.474 -8.720 1.00 0.00 H new ATOM 0 HB2 HIS A 124 7.351 -11.205 -8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.720 -9.958 -10.034 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.213 -13.435 -8.893 1.00 0.00 H new ATOM 0 HE1 HIS A 124 10.695 -12.491 -12.751 1.00 0.00 H new ATOM 0 HE2 HIS A 124 10.606 -14.266 -10.933 1.00 0.00 H new ATOM 1697 N TRP A 125 7.882 -7.730 -8.576 1.00 0.00 N ATOM 1698 CA TRP A 125 7.147 -6.540 -8.168 1.00 0.00 C ATOM 1699 C TRP A 125 5.638 -6.787 -8.206 1.00 0.00 C ATOM 1700 O TRP A 125 5.071 -7.044 -9.267 1.00 0.00 O ATOM 1701 CB TRP A 125 7.494 -5.358 -9.082 1.00 0.00 C ATOM 1702 CG TRP A 125 8.961 -5.056 -9.156 1.00 0.00 C ATOM 1703 CD1 TRP A 125 9.767 -4.651 -8.134 1.00 0.00 C ATOM 1704 CD2 TRP A 125 9.797 -5.121 -10.321 1.00 0.00 C ATOM 1705 NE1 TRP A 125 11.051 -4.470 -8.585 1.00 0.00 N ATOM 1706 CE2 TRP A 125 11.095 -4.751 -9.924 1.00 0.00 C ATOM 1707 CE3 TRP A 125 9.574 -5.458 -11.658 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 12.164 -4.711 -10.814 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 10.636 -5.418 -12.541 1.00 0.00 C ATOM 1710 CH2 TRP A 125 11.917 -5.046 -12.117 1.00 0.00 C ATOM 0 H TRP A 125 8.204 -7.715 -9.544 1.00 0.00 H new ATOM 0 HA TRP A 125 7.438 -6.304 -7.144 1.00 0.00 H new ATOM 0 HB2 TRP A 125 7.125 -5.568 -10.086 1.00 0.00 H new ATOM 0 HB3 TRP A 125 6.968 -4.471 -8.728 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.442 -4.495 -7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 125 11.843 -4.174 -8.015 1.00 0.00 H new ATOM 0 HE3 TRP A 125 8.589 -5.745 -11.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 13.153 -4.426 -10.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 10.475 -5.678 -13.577 1.00 0.00 H new ATOM 0 HH2 TRP A 125 12.726 -5.023 -12.832 1.00 0.00 H new ATOM 1721 N LEU A 126 5.003 -6.725 -7.043 1.00 0.00 N ATOM 1722 CA LEU A 126 3.550 -6.844 -6.947 1.00 0.00 C ATOM 1723 C LEU A 126 2.903 -5.469 -7.079 1.00 0.00 C ATOM 1724 O LEU A 126 3.585 -4.451 -7.018 1.00 0.00 O ATOM 1725 CB LEU A 126 3.154 -7.475 -5.607 1.00 0.00 C ATOM 1726 CG LEU A 126 3.271 -6.559 -4.389 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.903 -6.038 -3.966 1.00 0.00 C ATOM 1728 CD2 LEU A 126 3.941 -7.295 -3.245 1.00 0.00 C ATOM 0 H LEU A 126 5.472 -6.592 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 126 3.200 -7.485 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.124 -7.824 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.777 -8.354 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 126 3.886 -5.701 -4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.014 -5.389 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.459 -5.474 -4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.257 -6.878 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.019 -6.633 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.348 -8.170 -2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.938 -7.612 -3.551 1.00 0.00 H new ATOM 1740 N LYS A 127 1.591 -5.445 -7.245 1.00 0.00 N ATOM 1741 CA LYS A 127 0.853 -4.200 -7.360 1.00 0.00 C ATOM 1742 C LYS A 127 -0.496 -4.333 -6.670 1.00 0.00 C ATOM 1743 O LYS A 127 -1.019 -5.442 -6.531 1.00 0.00 O ATOM 1744 CB LYS A 127 0.680 -3.796 -8.839 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.098 -4.795 -9.694 1.00 0.00 C ATOM 1746 CD LYS A 127 -1.605 -4.623 -9.556 1.00 0.00 C ATOM 1747 CE LYS A 127 -2.362 -5.703 -10.312 1.00 0.00 C ATOM 1748 NZ LYS A 127 -3.831 -5.592 -10.117 1.00 0.00 N ATOM 0 H LYS A 127 1.011 -6.282 -7.303 1.00 0.00 H new ATOM 0 HA LYS A 127 1.420 -3.410 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.172 -2.833 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.667 -3.655 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.185 -4.673 -10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 127 0.178 -5.809 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.881 -4.655 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.896 -3.642 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.131 -5.632 -11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.025 -6.684 -9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -4.310 -6.347 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -4.055 -5.686 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -4.158 -4.666 -10.460 1.00 0.00 H new ATOM 1762 N VAL A 128 -1.043 -3.211 -6.233 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.357 -3.172 -5.631 1.00 0.00 C ATOM 1764 C VAL A 128 -2.725 -1.729 -5.321 1.00 0.00 C ATOM 1765 O VAL A 128 -2.104 -0.813 -5.895 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.442 -4.023 -4.350 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.637 -3.401 -3.233 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.889 -4.236 -3.949 1.00 0.00 C ATOM 1769 OXT VAL A 128 -3.646 -1.512 -4.532 1.00 0.00 O ATOM 0 H VAL A 128 -0.584 -2.302 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.062 -3.598 -6.345 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.007 -5.001 -4.554 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.714 -4.021 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.592 -3.327 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.023 -2.405 -3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.930 -4.839 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -4.361 -3.271 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.417 -4.751 -4.752 1.00 0.00 H new TER 1779 VAL A 128