USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 77:sc= 0.684 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.7! C(o=-3.4!,f=-13!) USER MOD Set 1.3: A 114 CYS SG : rot 149:sc= 0.507 USER MOD Set 1.4: A 117 CYS SG : rot 123:sc= 0.0627 USER MOD Set 2.1: A 74 CYS SG : rot 80:sc= -0.835 USER MOD Set 2.2: A 79 CYS SG : rot -150:sc= -0.101 USER MOD Set 2.3: A 95 HIS : no HE2:sc= -2.42! X(o=-4.9!,f=-4.7) USER MOD Set 2.4: A 99 THR OG1 : rot 156:sc= 0.667 USER MOD Set 2.5: A 101 HIS : no HE2:sc= -2.26 K(o=-4.9,f=-10) USER MOD Set 3.1: A 93 THR OG1 : rot -43:sc= -0.196 USER MOD Set 3.2: A 115 TYR OH : rot -140:sc= 0.952 USER MOD Set 4.1: A 92 SER OG : rot 90:sc= 1.06 USER MOD Set 4.2: A 104 THR OG1 : rot 142:sc= -0.287 USER MOD Set 5.1: A 61 CYS SG : rot 142:sc= -0.326 USER MOD Set 5.2: A 64 CYS SG : rot -33:sc= 0.473 USER MOD Set 5.3: A 84 CYS SG : rot 180:sc= -1.08 USER MOD Set 5.4: A 91 HIS : no HE2:sc= -1.8 X(o=-2.7,f=-2.6) USER MOD Set 6.1: A 56 LYS NZ :NH3+ -135:sc= -1.77! (180deg=-4.65!) USER MOD Set 6.2: A 80 SER OG : rot -172:sc= 0.374 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -84:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= -0.0045 (180deg=-0.0962) USER MOD Single : A 55 GLN : amide:sc= -0.0932 K(o=-0.093,f=-0.67) USER MOD Single : A 57 SER OG : rot -33:sc= 1.23 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.77! C(o=-2.8!,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.615 X(o=-0.62,f=-0.98!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 36:sc= -1.03 USER MOD Single : A 97 GLN : amide:sc= -1.52! X(o=-1.5!,f=-1.3) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.931 K(o=-0.93,f=-7.3!) USER MOD Single : A 108 THR OG1 : rot 119:sc= 0.0124 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -67:sc= 0.562 USER MOD Single : A 119 LYS NZ :NH3+ -149:sc= -0.0244 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.320 0.380 3.806 1.00 0.00 N ATOM 60 CA CYS A 39 15.812 -0.691 2.959 1.00 0.00 C ATOM 61 C CYS A 39 15.781 -0.247 1.490 1.00 0.00 C ATOM 62 O CYS A 39 15.314 0.848 1.174 1.00 0.00 O ATOM 63 CB CYS A 39 14.417 -1.120 3.439 1.00 0.00 C ATOM 64 SG CYS A 39 13.300 -1.691 2.134 1.00 0.00 S ATOM 0 HA CYS A 39 16.480 -1.550 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.531 -1.918 4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.951 -0.279 3.952 1.00 0.00 H new ATOM 0 HG CYS A 39 13.629 -2.897 1.779 1.00 0.00 H new ATOM 69 N PRO A 40 16.287 -1.096 0.575 1.00 0.00 N ATOM 70 CA PRO A 40 16.325 -0.785 -0.861 1.00 0.00 C ATOM 71 C PRO A 40 14.943 -0.766 -1.508 1.00 0.00 C ATOM 72 O PRO A 40 14.638 0.116 -2.310 1.00 0.00 O ATOM 73 CB PRO A 40 17.167 -1.920 -1.447 1.00 0.00 C ATOM 74 CG PRO A 40 16.996 -3.050 -0.492 1.00 0.00 C ATOM 75 CD PRO A 40 16.868 -2.421 0.866 1.00 0.00 C ATOM 0 HA PRO A 40 16.729 0.211 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.826 -2.191 -2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.214 -1.631 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.111 -3.638 -0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.849 -3.727 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.224 -3.007 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.835 -2.336 1.362 1.00 0.00 H new ATOM 83 N HIS A 41 14.113 -1.745 -1.163 1.00 0.00 N ATOM 84 CA HIS A 41 12.768 -1.845 -1.721 1.00 0.00 C ATOM 85 C HIS A 41 12.044 -0.499 -1.669 1.00 0.00 C ATOM 86 O HIS A 41 11.578 0.004 -2.692 1.00 0.00 O ATOM 87 CB HIS A 41 11.969 -2.911 -0.968 1.00 0.00 C ATOM 88 CG HIS A 41 12.736 -4.177 -0.730 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.234 -4.492 0.512 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.069 -5.160 -1.603 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.855 -5.649 0.369 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.783 -6.092 -0.895 1.00 0.00 N ATOM 0 H HIS A 41 14.348 -2.482 -0.498 1.00 0.00 H new ATOM 0 HA HIS A 41 12.853 -2.136 -2.768 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.649 -2.504 -0.009 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.066 -3.143 -1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.820 -5.201 -2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.357 -6.172 1.169 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.183 -6.957 -1.260 1.00 0.00 H new ATOM 100 N LEU A 42 11.961 0.082 -0.478 1.00 0.00 N ATOM 101 CA LEU A 42 11.304 1.371 -0.296 1.00 0.00 C ATOM 102 C LEU A 42 12.183 2.507 -0.811 1.00 0.00 C ATOM 103 O LEU A 42 11.686 3.489 -1.361 1.00 0.00 O ATOM 104 CB LEU A 42 10.973 1.597 1.181 1.00 0.00 C ATOM 105 CG LEU A 42 12.174 1.562 2.128 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.765 2.954 2.292 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.772 0.989 3.478 1.00 0.00 C ATOM 0 H LEU A 42 12.342 -0.320 0.379 1.00 0.00 H new ATOM 0 HA LEU A 42 10.378 1.362 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.478 2.563 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.258 0.837 1.497 1.00 0.00 H new ATOM 0 HG LEU A 42 12.936 0.915 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.618 2.910 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.091 3.328 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.010 3.624 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.639 0.972 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.992 1.610 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.397 -0.026 3.345 1.00 0.00 H new ATOM 119 N ASP A 43 13.493 2.368 -0.629 1.00 0.00 N ATOM 120 CA ASP A 43 14.437 3.387 -1.078 1.00 0.00 C ATOM 121 C ASP A 43 14.285 3.665 -2.574 1.00 0.00 C ATOM 122 O ASP A 43 14.680 4.726 -3.058 1.00 0.00 O ATOM 123 CB ASP A 43 15.872 2.952 -0.772 1.00 0.00 C ATOM 124 CG ASP A 43 16.895 3.993 -1.181 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.506 3.835 -2.260 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.086 4.968 -0.424 1.00 0.00 O ATOM 0 H ASP A 43 13.924 1.563 -0.175 1.00 0.00 H new ATOM 0 HA ASP A 43 14.217 4.307 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.968 2.753 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.083 2.017 -1.291 1.00 0.00 H new ATOM 131 N SER A 44 13.717 2.707 -3.302 1.00 0.00 N ATOM 132 CA SER A 44 13.526 2.855 -4.741 1.00 0.00 C ATOM 133 C SER A 44 12.222 3.583 -5.055 1.00 0.00 C ATOM 134 O SER A 44 12.182 4.453 -5.925 1.00 0.00 O ATOM 135 CB SER A 44 13.532 1.484 -5.420 1.00 0.00 C ATOM 136 OG SER A 44 14.850 1.089 -5.760 1.00 0.00 O ATOM 0 H SER A 44 13.382 1.823 -2.920 1.00 0.00 H new ATOM 0 HA SER A 44 14.352 3.452 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.087 0.744 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.916 1.517 -6.318 1.00 0.00 H new ATOM 0 HG SER A 44 14.827 0.209 -6.191 1.00 0.00 H new ATOM 142 N VAL A 45 11.155 3.222 -4.349 1.00 0.00 N ATOM 143 CA VAL A 45 9.854 3.844 -4.564 1.00 0.00 C ATOM 144 C VAL A 45 9.845 5.291 -4.078 1.00 0.00 C ATOM 145 O VAL A 45 10.629 5.668 -3.207 1.00 0.00 O ATOM 146 CB VAL A 45 8.726 3.059 -3.861 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.763 1.595 -4.271 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.822 3.196 -2.346 1.00 0.00 C ATOM 0 H VAL A 45 11.166 2.504 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 45 9.672 3.829 -5.639 1.00 0.00 H new ATOM 0 HB VAL A 45 7.772 3.484 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.961 1.056 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.631 1.516 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.724 1.163 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.015 2.633 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.781 2.806 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.739 4.247 -2.070 1.00 0.00 H new ATOM 158 N GLY A 46 8.953 6.095 -4.648 1.00 0.00 N ATOM 159 CA GLY A 46 8.860 7.491 -4.261 1.00 0.00 C ATOM 160 C GLY A 46 7.903 7.709 -3.105 1.00 0.00 C ATOM 161 O GLY A 46 7.977 7.017 -2.090 1.00 0.00 O ATOM 0 H GLY A 46 8.294 5.805 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.849 7.855 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.532 8.081 -5.117 1.00 0.00 H new ATOM 165 N GLU A 47 7.002 8.675 -3.260 1.00 0.00 N ATOM 166 CA GLU A 47 6.027 8.984 -2.220 1.00 0.00 C ATOM 167 C GLU A 47 4.663 9.299 -2.827 1.00 0.00 C ATOM 168 O GLU A 47 4.570 9.750 -3.969 1.00 0.00 O ATOM 169 CB GLU A 47 6.508 10.165 -1.376 1.00 0.00 C ATOM 170 CG GLU A 47 5.953 10.168 0.038 1.00 0.00 C ATOM 171 CD GLU A 47 5.530 11.551 0.496 1.00 0.00 C ATOM 172 OE1 GLU A 47 4.991 12.313 -0.334 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.736 11.872 1.685 1.00 0.00 O ATOM 0 H GLU A 47 6.927 9.256 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 47 5.925 8.107 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.597 10.148 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.224 11.094 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.097 9.495 0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.707 9.778 0.721 1.00 0.00 H new ATOM 180 N ILE A 48 3.607 9.057 -2.056 1.00 0.00 N ATOM 181 CA ILE A 48 2.248 9.316 -2.516 1.00 0.00 C ATOM 182 C ILE A 48 1.799 10.723 -2.135 1.00 0.00 C ATOM 183 O ILE A 48 2.125 11.219 -1.056 1.00 0.00 O ATOM 184 CB ILE A 48 1.253 8.293 -1.931 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.715 6.866 -2.234 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.147 8.533 -2.482 1.00 0.00 C ATOM 187 CD1 ILE A 48 1.668 6.513 -3.705 1.00 0.00 C ATOM 0 H ILE A 48 3.667 8.682 -1.109 1.00 0.00 H new ATOM 0 HA ILE A 48 2.256 9.222 -3.602 1.00 0.00 H new ATOM 0 HB ILE A 48 1.221 8.422 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.735 6.738 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.090 6.165 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.835 7.802 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.476 9.538 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.133 8.432 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.009 5.487 -3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.645 6.608 -4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.316 7.190 -4.262 1.00 0.00 H new ATOM 199 N THR A 49 1.047 11.360 -3.027 1.00 0.00 N ATOM 200 CA THR A 49 0.550 12.708 -2.783 1.00 0.00 C ATOM 201 C THR A 49 -0.662 12.678 -1.858 1.00 0.00 C ATOM 202 O THR A 49 -1.317 11.646 -1.710 1.00 0.00 O ATOM 203 CB THR A 49 0.179 13.384 -4.104 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.988 12.803 -4.655 1.00 0.00 O ATOM 205 CG2 THR A 49 1.272 13.297 -5.148 1.00 0.00 C ATOM 0 H THR A 49 0.769 10.964 -3.925 1.00 0.00 H new ATOM 0 HA THR A 49 1.342 13.280 -2.300 1.00 0.00 H new ATOM 0 HB THR A 49 0.018 14.433 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.746 11.999 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.944 13.796 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.173 13.782 -4.773 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.487 12.250 -5.364 1.00 0.00 H new ATOM 213 N LYS A 50 -0.955 13.816 -1.236 1.00 0.00 N ATOM 214 CA LYS A 50 -2.090 13.917 -0.326 1.00 0.00 C ATOM 215 C LYS A 50 -3.393 13.588 -1.047 1.00 0.00 C ATOM 216 O LYS A 50 -4.207 12.809 -0.552 1.00 0.00 O ATOM 217 CB LYS A 50 -2.162 15.323 0.277 1.00 0.00 C ATOM 218 CG LYS A 50 -2.225 15.330 1.796 1.00 0.00 C ATOM 219 CD LYS A 50 -3.648 15.135 2.299 1.00 0.00 C ATOM 220 CE LYS A 50 -4.183 16.391 2.967 1.00 0.00 C ATOM 221 NZ LYS A 50 -3.470 16.690 4.240 1.00 0.00 N ATOM 0 H LYS A 50 -0.423 14.679 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.949 13.194 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.290 15.893 -0.045 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.040 15.834 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.587 14.539 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.832 16.274 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.295 14.862 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.674 14.307 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.080 17.236 2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.248 16.270 3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.047 17.335 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.309 15.806 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.556 17.139 4.029 1.00 0.00 H new ATOM 235 N GLU A 51 -3.581 14.182 -2.221 1.00 0.00 N ATOM 236 CA GLU A 51 -4.784 13.951 -3.010 1.00 0.00 C ATOM 237 C GLU A 51 -4.939 12.471 -3.347 1.00 0.00 C ATOM 238 O GLU A 51 -6.055 11.967 -3.471 1.00 0.00 O ATOM 239 CB GLU A 51 -4.741 14.781 -4.296 1.00 0.00 C ATOM 240 CG GLU A 51 -5.593 16.038 -4.238 1.00 0.00 C ATOM 241 CD GLU A 51 -5.004 17.099 -3.331 1.00 0.00 C ATOM 242 OE1 GLU A 51 -5.561 17.320 -2.235 1.00 0.00 O ATOM 243 OE2 GLU A 51 -3.984 17.710 -3.715 1.00 0.00 O ATOM 0 H GLU A 51 -2.915 14.827 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.644 14.259 -2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.708 15.061 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.077 14.163 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.703 16.445 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.592 15.779 -3.888 1.00 0.00 H new ATOM 250 N ASP A 52 -3.813 11.780 -3.492 1.00 0.00 N ATOM 251 CA ASP A 52 -3.829 10.358 -3.811 1.00 0.00 C ATOM 252 C ASP A 52 -4.329 9.544 -2.622 1.00 0.00 C ATOM 253 O ASP A 52 -5.233 8.718 -2.759 1.00 0.00 O ATOM 254 CB ASP A 52 -2.429 9.888 -4.214 1.00 0.00 C ATOM 255 CG ASP A 52 -2.198 9.979 -5.709 1.00 0.00 C ATOM 256 OD1 ASP A 52 -1.287 10.727 -6.124 1.00 0.00 O ATOM 257 OD2 ASP A 52 -2.925 9.302 -6.466 1.00 0.00 O ATOM 0 H ASP A 52 -2.880 12.181 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.510 10.204 -4.648 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.683 10.491 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.287 8.857 -3.889 1.00 0.00 H new ATOM 262 N LEU A 53 -3.737 9.782 -1.457 1.00 0.00 N ATOM 263 CA LEU A 53 -4.123 9.069 -0.243 1.00 0.00 C ATOM 264 C LEU A 53 -5.573 9.366 0.125 1.00 0.00 C ATOM 265 O LEU A 53 -6.270 8.514 0.675 1.00 0.00 O ATOM 266 CB LEU A 53 -3.199 9.450 0.917 1.00 0.00 C ATOM 267 CG LEU A 53 -1.719 9.118 0.709 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.937 9.338 1.996 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.553 7.685 0.222 1.00 0.00 C ATOM 0 H LEU A 53 -2.988 10.462 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.028 8.000 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.292 10.521 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.545 8.943 1.818 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.322 9.787 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.113 9.097 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.026 10.380 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.337 8.694 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.494 7.469 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.967 6.999 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.079 7.559 -0.725 1.00 0.00 H new ATOM 281 N ILE A 54 -6.024 10.580 -0.182 1.00 0.00 N ATOM 282 CA ILE A 54 -7.394 10.987 0.118 1.00 0.00 C ATOM 283 C ILE A 54 -8.402 10.022 -0.506 1.00 0.00 C ATOM 284 O ILE A 54 -9.375 9.628 0.136 1.00 0.00 O ATOM 285 CB ILE A 54 -7.670 12.428 -0.376 1.00 0.00 C ATOM 286 CG1 ILE A 54 -7.003 13.442 0.555 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.167 12.702 -0.470 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.614 13.491 1.940 1.00 0.00 C ATOM 0 H ILE A 54 -5.461 11.298 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.511 10.963 1.201 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.246 12.530 -1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.944 13.199 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.067 14.432 0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.329 13.722 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.622 12.002 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.622 12.579 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.089 14.232 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.666 13.764 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.526 12.512 2.411 1.00 0.00 H new ATOM 300 N GLN A 55 -8.163 9.644 -1.758 1.00 0.00 N ATOM 301 CA GLN A 55 -9.054 8.723 -2.458 1.00 0.00 C ATOM 302 C GLN A 55 -8.999 7.339 -1.830 1.00 0.00 C ATOM 303 O GLN A 55 -10.031 6.730 -1.553 1.00 0.00 O ATOM 304 CB GLN A 55 -8.681 8.644 -3.941 1.00 0.00 C ATOM 305 CG GLN A 55 -9.884 8.583 -4.867 1.00 0.00 C ATOM 306 CD GLN A 55 -9.922 9.735 -5.853 1.00 0.00 C ATOM 307 OE1 GLN A 55 -8.884 10.188 -6.336 1.00 0.00 O ATOM 308 NE2 GLN A 55 -11.122 10.217 -6.156 1.00 0.00 N ATOM 0 H GLN A 55 -7.363 9.959 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.072 9.102 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.076 9.512 -4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.061 7.762 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.868 7.641 -5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.797 8.590 -4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.956 9.811 -5.732 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.209 10.993 -6.813 1.00 0.00 H new ATOM 317 N LYS A 56 -7.791 6.853 -1.597 1.00 0.00 N ATOM 318 CA LYS A 56 -7.604 5.545 -0.987 1.00 0.00 C ATOM 319 C LYS A 56 -8.152 5.545 0.436 1.00 0.00 C ATOM 320 O LYS A 56 -8.644 4.529 0.926 1.00 0.00 O ATOM 321 CB LYS A 56 -6.121 5.165 -0.982 1.00 0.00 C ATOM 322 CG LYS A 56 -5.473 5.216 -2.356 1.00 0.00 C ATOM 323 CD LYS A 56 -4.088 5.842 -2.300 1.00 0.00 C ATOM 324 CE LYS A 56 -3.354 5.699 -3.624 1.00 0.00 C ATOM 325 NZ LYS A 56 -1.983 5.146 -3.444 1.00 0.00 N ATOM 0 H LYS A 56 -6.925 7.343 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.150 4.807 -1.574 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.585 5.837 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.014 4.159 -0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.401 4.207 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.104 5.789 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.176 6.898 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.507 5.370 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.924 5.047 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.292 6.672 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.310 5.693 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.713 5.206 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.967 4.151 -3.747 1.00 0.00 H new ATOM 339 N SER A 57 -8.063 6.699 1.091 1.00 0.00 N ATOM 340 CA SER A 57 -8.546 6.852 2.459 1.00 0.00 C ATOM 341 C SER A 57 -10.074 6.860 2.517 1.00 0.00 C ATOM 342 O SER A 57 -10.656 6.756 3.597 1.00 0.00 O ATOM 343 CB SER A 57 -7.999 8.140 3.076 1.00 0.00 C ATOM 344 OG SER A 57 -8.760 9.265 2.670 1.00 0.00 O ATOM 0 H SER A 57 -7.658 7.546 0.693 1.00 0.00 H new ATOM 0 HA SER A 57 -8.188 5.996 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.014 8.061 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.959 8.275 2.780 1.00 0.00 H new ATOM 0 HG SER A 57 -9.094 9.123 1.760 1.00 0.00 H new ATOM 350 N LEU A 58 -10.723 6.989 1.361 1.00 0.00 N ATOM 351 CA LEU A 58 -12.181 7.016 1.315 1.00 0.00 C ATOM 352 C LEU A 58 -12.770 5.705 1.833 1.00 0.00 C ATOM 353 O LEU A 58 -13.939 5.650 2.215 1.00 0.00 O ATOM 354 CB LEU A 58 -12.667 7.281 -0.112 1.00 0.00 C ATOM 355 CG LEU A 58 -12.595 8.742 -0.558 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.940 8.867 -2.034 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.525 9.602 0.284 1.00 0.00 C ATOM 0 H LEU A 58 -10.266 7.076 0.453 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.522 7.825 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.075 6.677 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.699 6.941 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.575 9.097 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.884 9.914 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.234 8.282 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.950 8.495 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.461 10.639 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.550 9.248 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.232 9.537 1.332 1.00 0.00 H new ATOM 369 N GLY A 59 -11.952 4.656 1.860 1.00 0.00 N ATOM 370 CA GLY A 59 -12.412 3.371 2.354 1.00 0.00 C ATOM 371 C GLY A 59 -13.031 2.499 1.278 1.00 0.00 C ATOM 372 O GLY A 59 -14.090 1.907 1.488 1.00 0.00 O ATOM 0 H GLY A 59 -10.981 4.673 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.572 2.841 2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.144 3.535 3.145 1.00 0.00 H new ATOM 376 N THR A 60 -12.371 2.409 0.128 1.00 0.00 N ATOM 377 CA THR A 60 -12.872 1.588 -0.968 1.00 0.00 C ATOM 378 C THR A 60 -11.723 0.930 -1.727 1.00 0.00 C ATOM 379 O THR A 60 -10.700 1.562 -1.994 1.00 0.00 O ATOM 380 CB THR A 60 -13.710 2.434 -1.927 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.913 3.425 -2.550 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.868 3.136 -1.249 1.00 0.00 C ATOM 0 H THR A 60 -11.494 2.891 -0.069 1.00 0.00 H new ATOM 0 HA THR A 60 -13.499 0.805 -0.542 1.00 0.00 H new ATOM 0 HB THR A 60 -14.109 1.731 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.467 3.954 -3.161 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.422 3.719 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.530 2.395 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.487 3.800 -0.473 1.00 0.00 H new ATOM 390 N CYS A 61 -11.901 -0.340 -2.078 1.00 0.00 N ATOM 391 CA CYS A 61 -10.882 -1.080 -2.815 1.00 0.00 C ATOM 392 C CYS A 61 -11.045 -0.875 -4.318 1.00 0.00 C ATOM 393 O CYS A 61 -12.162 -0.871 -4.834 1.00 0.00 O ATOM 394 CB CYS A 61 -10.950 -2.570 -2.476 1.00 0.00 C ATOM 395 SG CYS A 61 -9.501 -3.511 -3.014 1.00 0.00 S ATOM 0 H CYS A 61 -12.741 -0.878 -1.864 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.905 -0.698 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.064 -2.682 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.840 -2.997 -2.937 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.214 -4.413 -2.123 1.00 0.00 H new ATOM 400 N GLN A 62 -9.928 -0.706 -5.014 1.00 0.00 N ATOM 401 CA GLN A 62 -9.952 -0.502 -6.458 1.00 0.00 C ATOM 402 C GLN A 62 -10.192 -1.816 -7.196 1.00 0.00 C ATOM 403 O GLN A 62 -10.731 -1.827 -8.303 1.00 0.00 O ATOM 404 CB GLN A 62 -8.639 0.129 -6.925 1.00 0.00 C ATOM 405 CG GLN A 62 -8.701 1.642 -7.047 1.00 0.00 C ATOM 406 CD GLN A 62 -7.405 2.238 -7.557 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.448 1.518 -7.842 1.00 0.00 O ATOM 408 NE2 GLN A 62 -7.367 3.560 -7.676 1.00 0.00 N ATOM 0 H GLN A 62 -8.994 -0.706 -4.603 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.776 0.174 -6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.848 -0.139 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.366 -0.294 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.513 1.916 -7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.936 2.072 -6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.184 4.118 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.521 4.017 -8.015 1.00 0.00 H new ATOM 417 N ASP A 63 -9.784 -2.923 -6.581 1.00 0.00 N ATOM 418 CA ASP A 63 -9.951 -4.239 -7.187 1.00 0.00 C ATOM 419 C ASP A 63 -11.330 -4.819 -6.878 1.00 0.00 C ATOM 420 O ASP A 63 -12.060 -5.222 -7.784 1.00 0.00 O ATOM 421 CB ASP A 63 -8.862 -5.191 -6.690 1.00 0.00 C ATOM 422 CG ASP A 63 -8.310 -6.066 -7.799 1.00 0.00 C ATOM 423 OD1 ASP A 63 -7.219 -5.748 -8.319 1.00 0.00 O ATOM 424 OD2 ASP A 63 -8.966 -7.070 -8.146 1.00 0.00 O ATOM 0 H ASP A 63 -9.336 -2.934 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.864 -4.125 -8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.050 -4.612 -6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.268 -5.823 -5.900 1.00 0.00 H new ATOM 429 N CYS A 64 -11.676 -4.861 -5.596 1.00 0.00 N ATOM 430 CA CYS A 64 -12.965 -5.397 -5.170 1.00 0.00 C ATOM 431 C CYS A 64 -13.766 -4.345 -4.405 1.00 0.00 C ATOM 432 O CYS A 64 -13.442 -3.158 -4.439 1.00 0.00 O ATOM 433 CB CYS A 64 -12.757 -6.641 -4.301 1.00 0.00 C ATOM 434 SG CYS A 64 -11.955 -6.312 -2.711 1.00 0.00 S ATOM 0 H CYS A 64 -11.083 -4.531 -4.834 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.531 -5.676 -6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.725 -7.108 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.156 -7.361 -4.856 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.107 -5.336 -2.846 1.00 0.00 H new ATOM 439 N LYS A 65 -14.816 -4.787 -3.717 1.00 0.00 N ATOM 440 CA LYS A 65 -15.661 -3.883 -2.947 1.00 0.00 C ATOM 441 C LYS A 65 -15.774 -4.349 -1.497 1.00 0.00 C ATOM 442 O LYS A 65 -16.849 -4.739 -1.041 1.00 0.00 O ATOM 443 CB LYS A 65 -17.052 -3.791 -3.578 1.00 0.00 C ATOM 444 CG LYS A 65 -17.715 -5.143 -3.789 1.00 0.00 C ATOM 445 CD LYS A 65 -18.149 -5.335 -5.234 1.00 0.00 C ATOM 446 CE LYS A 65 -19.222 -4.335 -5.636 1.00 0.00 C ATOM 447 NZ LYS A 65 -20.476 -5.011 -6.072 1.00 0.00 N ATOM 0 H LYS A 65 -15.101 -5.766 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.201 -2.895 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.691 -3.178 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.973 -3.280 -4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.022 -5.936 -3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -18.582 -5.230 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -17.286 -5.227 -5.891 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.527 -6.348 -5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.438 -3.677 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.848 -3.707 -6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -21.182 -4.295 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.275 -5.620 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -20.847 -5.591 -5.292 1.00 0.00 H new ATOM 529 N LEU A 71 -7.280 0.063 5.087 1.00 0.00 N ATOM 530 CA LEU A 71 -7.005 -0.023 3.657 1.00 0.00 C ATOM 531 C LEU A 71 -5.528 0.224 3.369 1.00 0.00 C ATOM 532 O LEU A 71 -4.893 1.069 4.002 1.00 0.00 O ATOM 533 CB LEU A 71 -7.867 0.983 2.889 1.00 0.00 C ATOM 534 CG LEU A 71 -9.063 0.377 2.154 1.00 0.00 C ATOM 535 CD1 LEU A 71 -9.894 1.468 1.499 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.594 -0.633 1.117 1.00 0.00 C ATOM 0 HA LEU A 71 -7.254 -1.031 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.232 1.735 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.238 1.500 2.165 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.688 -0.141 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.741 1.019 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.259 2.155 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.279 2.014 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.458 -1.055 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.947 -0.137 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.040 -1.431 1.611 1.00 0.00 H new ATOM 548 N TRP A 72 -4.987 -0.522 2.411 1.00 0.00 N ATOM 549 CA TRP A 72 -3.585 -0.389 2.038 1.00 0.00 C ATOM 550 C TRP A 72 -3.445 0.073 0.591 1.00 0.00 C ATOM 551 O TRP A 72 -4.104 -0.451 -0.305 1.00 0.00 O ATOM 552 CB TRP A 72 -2.860 -1.720 2.230 1.00 0.00 C ATOM 553 CG TRP A 72 -2.877 -2.208 3.647 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.978 -2.477 4.409 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.740 -2.481 4.472 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.594 -2.903 5.658 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.225 -2.914 5.721 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.359 -2.404 4.276 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.376 -3.266 6.768 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.482 -2.754 5.315 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.029 -3.182 6.546 1.00 0.00 C ATOM 0 H TRP A 72 -5.500 -1.225 1.879 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.133 0.363 2.685 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.320 -2.472 1.589 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.826 -1.612 1.903 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.001 -2.371 4.079 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.225 -3.168 6.415 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.044 -2.077 3.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.767 -3.593 7.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.551 -2.696 5.175 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.655 -3.452 7.337 1.00 0.00 H new ATOM 572 N ALA A 73 -2.579 1.056 0.371 1.00 0.00 N ATOM 573 CA ALA A 73 -2.350 1.585 -0.967 1.00 0.00 C ATOM 574 C ALA A 73 -0.899 1.389 -1.391 1.00 0.00 C ATOM 575 O ALA A 73 0.012 1.457 -0.566 1.00 0.00 O ATOM 576 CB ALA A 73 -2.725 3.058 -1.024 1.00 0.00 C ATOM 0 H ALA A 73 -2.025 1.502 1.102 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.983 1.035 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.549 3.440 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.779 3.175 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.117 3.616 -0.312 1.00 0.00 H new ATOM 582 N CYS A 74 -0.688 1.147 -2.681 1.00 0.00 N ATOM 583 CA CYS A 74 0.656 0.943 -3.207 1.00 0.00 C ATOM 584 C CYS A 74 1.545 2.145 -2.898 1.00 0.00 C ATOM 585 O CYS A 74 1.101 3.291 -2.968 1.00 0.00 O ATOM 586 CB CYS A 74 0.605 0.695 -4.717 1.00 0.00 C ATOM 587 SG CYS A 74 2.155 0.077 -5.410 1.00 0.00 S ATOM 0 H CYS A 74 -1.429 1.088 -3.379 1.00 0.00 H new ATOM 0 HA CYS A 74 1.084 0.066 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.188 -0.021 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.339 1.625 -5.219 1.00 0.00 H new ATOM 0 HG CYS A 74 2.254 -1.199 -5.183 1.00 0.00 H new ATOM 592 N LEU A 75 2.797 1.874 -2.543 1.00 0.00 N ATOM 593 CA LEU A 75 3.744 2.934 -2.206 1.00 0.00 C ATOM 594 C LEU A 75 4.524 3.410 -3.431 1.00 0.00 C ATOM 595 O LEU A 75 5.149 4.470 -3.398 1.00 0.00 O ATOM 596 CB LEU A 75 4.712 2.449 -1.127 1.00 0.00 C ATOM 597 CG LEU A 75 5.464 3.557 -0.388 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.508 4.366 0.475 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.582 2.967 0.461 1.00 0.00 C ATOM 0 H LEU A 75 3.180 0.931 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 75 3.171 3.781 -1.828 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.155 1.860 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.440 1.781 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 75 5.908 4.224 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.060 5.150 0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.742 4.818 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.035 3.711 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.107 3.769 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.159 2.278 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.282 2.431 -0.180 1.00 0.00 H new ATOM 611 N GLU A 76 4.491 2.629 -4.509 1.00 0.00 N ATOM 612 CA GLU A 76 5.203 2.991 -5.731 1.00 0.00 C ATOM 613 C GLU A 76 4.819 4.395 -6.193 1.00 0.00 C ATOM 614 O GLU A 76 3.663 4.802 -6.074 1.00 0.00 O ATOM 615 CB GLU A 76 4.909 1.979 -6.840 1.00 0.00 C ATOM 616 CG GLU A 76 6.038 1.832 -7.845 1.00 0.00 C ATOM 617 CD GLU A 76 7.164 0.955 -7.334 1.00 0.00 C ATOM 618 OE1 GLU A 76 6.869 -0.085 -6.711 1.00 0.00 O ATOM 619 OE2 GLU A 76 8.341 1.310 -7.558 1.00 0.00 O ATOM 0 H GLU A 76 3.982 1.747 -4.561 1.00 0.00 H new ATOM 0 HA GLU A 76 6.271 2.980 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.706 1.007 -6.389 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.003 2.282 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.644 1.409 -8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.433 2.818 -8.089 1.00 0.00 H new ATOM 626 N ASN A 77 5.794 5.128 -6.717 1.00 0.00 N ATOM 627 CA ASN A 77 5.560 6.487 -7.193 1.00 0.00 C ATOM 628 C ASN A 77 4.720 6.486 -8.465 1.00 0.00 C ATOM 629 O ASN A 77 3.860 7.346 -8.654 1.00 0.00 O ATOM 630 CB ASN A 77 6.893 7.196 -7.451 1.00 0.00 C ATOM 631 CG ASN A 77 6.716 8.637 -7.851 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.597 9.144 -7.936 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.829 9.306 -8.099 1.00 0.00 N ATOM 0 H ASN A 77 6.755 4.804 -6.823 1.00 0.00 H new ATOM 0 HA ASN A 77 5.011 7.024 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.507 7.145 -6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.434 6.669 -8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.784 10.287 -8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.733 8.841 -8.015 1.00 0.00 H new ATOM 640 N ARG A 78 4.975 5.516 -9.335 1.00 0.00 N ATOM 641 CA ARG A 78 4.243 5.403 -10.591 1.00 0.00 C ATOM 642 C ARG A 78 2.935 4.641 -10.399 1.00 0.00 C ATOM 643 O ARG A 78 1.978 4.835 -11.149 1.00 0.00 O ATOM 644 CB ARG A 78 5.105 4.701 -11.643 1.00 0.00 C ATOM 645 CG ARG A 78 4.603 4.891 -13.066 1.00 0.00 C ATOM 646 CD ARG A 78 3.859 3.662 -13.566 1.00 0.00 C ATOM 647 NE ARG A 78 2.419 3.889 -13.646 1.00 0.00 N ATOM 648 CZ ARG A 78 1.845 4.710 -14.523 1.00 0.00 C ATOM 649 NH1 ARG A 78 2.586 5.382 -15.395 1.00 0.00 N ATOM 650 NH2 ARG A 78 0.527 4.858 -14.528 1.00 0.00 N ATOM 0 H ARG A 78 5.683 4.796 -9.194 1.00 0.00 H new ATOM 0 HA ARG A 78 4.005 6.410 -10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.126 5.076 -11.574 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.141 3.635 -11.419 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.944 5.758 -13.107 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.446 5.100 -13.725 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.237 3.385 -14.550 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.057 2.822 -12.900 1.00 0.00 H new ATOM 0 HE ARG A 78 1.817 3.389 -12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.600 5.271 -15.395 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.142 6.010 -16.065 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.047 4.343 -13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.087 5.487 -15.200 1.00 0.00 H new ATOM 664 N CYS A 79 2.901 3.772 -9.393 1.00 0.00 N ATOM 665 CA CYS A 79 1.710 2.982 -9.109 1.00 0.00 C ATOM 666 C CYS A 79 0.863 3.634 -8.021 1.00 0.00 C ATOM 667 O CYS A 79 1.382 4.087 -7.001 1.00 0.00 O ATOM 668 CB CYS A 79 2.103 1.567 -8.681 1.00 0.00 C ATOM 669 SG CYS A 79 0.916 0.290 -9.158 1.00 0.00 S ATOM 0 H CYS A 79 3.684 3.598 -8.763 1.00 0.00 H new ATOM 0 HA CYS A 79 1.117 2.931 -10.022 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.073 1.325 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.224 1.548 -7.598 1.00 0.00 H new ATOM 0 HG CYS A 79 0.948 -0.678 -8.291 1.00 0.00 H new ATOM 674 N SER A 80 -0.446 3.671 -8.246 1.00 0.00 N ATOM 675 CA SER A 80 -1.375 4.259 -7.289 1.00 0.00 C ATOM 676 C SER A 80 -2.612 3.378 -7.145 1.00 0.00 C ATOM 677 O SER A 80 -3.745 3.857 -7.220 1.00 0.00 O ATOM 678 CB SER A 80 -1.779 5.667 -7.733 1.00 0.00 C ATOM 679 OG SER A 80 -1.898 6.538 -6.622 1.00 0.00 O ATOM 0 H SER A 80 -0.889 3.299 -9.086 1.00 0.00 H new ATOM 0 HA SER A 80 -0.878 4.328 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.037 6.059 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.727 5.625 -8.269 1.00 0.00 H new ATOM 0 HG SER A 80 -2.280 7.392 -6.915 1.00 0.00 H new ATOM 685 N TYR A 81 -2.383 2.084 -6.951 1.00 0.00 N ATOM 686 CA TYR A 81 -3.470 1.124 -6.810 1.00 0.00 C ATOM 687 C TYR A 81 -3.982 1.069 -5.373 1.00 0.00 C ATOM 688 O TYR A 81 -3.224 1.260 -4.422 1.00 0.00 O ATOM 689 CB TYR A 81 -3.002 -0.264 -7.251 1.00 0.00 C ATOM 690 CG TYR A 81 -3.576 -0.703 -8.579 1.00 0.00 C ATOM 691 CD1 TYR A 81 -4.891 -1.136 -8.680 1.00 0.00 C ATOM 692 CD2 TYR A 81 -2.802 -0.682 -9.733 1.00 0.00 C ATOM 693 CE1 TYR A 81 -5.420 -1.538 -9.892 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.323 -1.082 -10.949 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.632 -1.508 -11.023 1.00 0.00 C ATOM 696 OH TYR A 81 -5.155 -1.906 -12.232 1.00 0.00 O ATOM 0 H TYR A 81 -1.451 1.675 -6.888 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.292 1.450 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.914 -0.268 -7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.278 -0.991 -6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.511 -1.159 -7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.777 -0.348 -9.679 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.445 -1.874 -9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.708 -1.061 -11.836 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.470 -1.823 -12.928 1.00 0.00 H new ATOM 706 N VAL A 82 -5.275 0.794 -5.229 1.00 0.00 N ATOM 707 CA VAL A 82 -5.899 0.699 -3.915 1.00 0.00 C ATOM 708 C VAL A 82 -6.309 -0.739 -3.617 1.00 0.00 C ATOM 709 O VAL A 82 -7.152 -1.309 -4.310 1.00 0.00 O ATOM 710 CB VAL A 82 -7.142 1.605 -3.812 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.643 1.665 -2.377 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.835 3.000 -4.339 1.00 0.00 C ATOM 0 H VAL A 82 -5.912 0.633 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.160 1.030 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.932 1.177 -4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.521 2.309 -2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.908 0.662 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.859 2.067 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.725 3.624 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.028 3.441 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.532 2.936 -5.384 1.00 0.00 H new ATOM 722 N GLY A 83 -5.703 -1.325 -2.589 1.00 0.00 N ATOM 723 CA GLY A 83 -6.020 -2.697 -2.232 1.00 0.00 C ATOM 724 C GLY A 83 -6.264 -2.879 -0.748 1.00 0.00 C ATOM 725 O GLY A 83 -5.968 -1.994 0.054 1.00 0.00 O ATOM 0 H GLY A 83 -5.001 -0.878 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.906 -3.015 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.202 -3.346 -2.543 1.00 0.00 H new ATOM 729 N CYS A 84 -6.804 -4.036 -0.382 1.00 0.00 N ATOM 730 CA CYS A 84 -7.087 -4.343 1.015 1.00 0.00 C ATOM 731 C CYS A 84 -6.094 -5.370 1.553 1.00 0.00 C ATOM 732 O CYS A 84 -5.663 -6.270 0.830 1.00 0.00 O ATOM 733 CB CYS A 84 -8.519 -4.861 1.173 1.00 0.00 C ATOM 734 SG CYS A 84 -9.009 -6.092 -0.059 1.00 0.00 S ATOM 0 H CYS A 84 -7.055 -4.778 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.983 -3.424 1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.627 -5.296 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.206 -4.017 1.118 1.00 0.00 H new ATOM 0 HG CYS A 84 -10.234 -6.465 0.164 1.00 0.00 H new ATOM 739 N GLY A 85 -5.729 -5.225 2.824 1.00 0.00 N ATOM 740 CA GLY A 85 -4.783 -6.140 3.437 1.00 0.00 C ATOM 741 C GLY A 85 -5.360 -7.525 3.660 1.00 0.00 C ATOM 742 O GLY A 85 -6.474 -7.820 3.230 1.00 0.00 O ATOM 0 H GLY A 85 -6.072 -4.489 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.899 -6.218 2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.456 -5.730 4.393 1.00 0.00 H new ATOM 746 N GLU A 86 -4.593 -8.376 4.337 1.00 0.00 N ATOM 747 CA GLU A 86 -5.021 -9.741 4.622 1.00 0.00 C ATOM 748 C GLU A 86 -6.328 -9.758 5.414 1.00 0.00 C ATOM 749 O GLU A 86 -7.040 -10.763 5.427 1.00 0.00 O ATOM 750 CB GLU A 86 -3.931 -10.485 5.397 1.00 0.00 C ATOM 751 CG GLU A 86 -3.534 -11.810 4.769 1.00 0.00 C ATOM 752 CD GLU A 86 -3.762 -12.990 5.696 1.00 0.00 C ATOM 753 OE1 GLU A 86 -4.694 -12.922 6.523 1.00 0.00 O ATOM 754 OE2 GLU A 86 -3.008 -13.980 5.592 1.00 0.00 O ATOM 0 H GLU A 86 -3.669 -8.142 4.699 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.194 -10.244 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.049 -9.848 5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.279 -10.664 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.105 -11.958 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.482 -11.773 4.487 1.00 0.00 H new ATOM 761 N SER A 87 -6.638 -8.646 6.072 1.00 0.00 N ATOM 762 CA SER A 87 -7.858 -8.545 6.862 1.00 0.00 C ATOM 763 C SER A 87 -9.096 -8.704 5.982 1.00 0.00 C ATOM 764 O SER A 87 -10.184 -8.998 6.477 1.00 0.00 O ATOM 765 CB SER A 87 -7.907 -7.202 7.593 1.00 0.00 C ATOM 766 OG SER A 87 -7.396 -7.318 8.909 1.00 0.00 O ATOM 0 H SER A 87 -6.062 -7.804 6.074 1.00 0.00 H new ATOM 0 HA SER A 87 -7.852 -9.351 7.595 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.329 -6.462 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.935 -6.842 7.629 1.00 0.00 H new ATOM 0 HG SER A 87 -7.437 -6.446 9.354 1.00 0.00 H new ATOM 772 N GLN A 88 -8.925 -8.511 4.677 1.00 0.00 N ATOM 773 CA GLN A 88 -10.031 -8.637 3.737 1.00 0.00 C ATOM 774 C GLN A 88 -9.739 -9.710 2.691 1.00 0.00 C ATOM 775 O GLN A 88 -10.395 -10.750 2.658 1.00 0.00 O ATOM 776 CB GLN A 88 -10.300 -7.296 3.051 1.00 0.00 C ATOM 777 CG GLN A 88 -10.461 -6.138 4.025 1.00 0.00 C ATOM 778 CD GLN A 88 -11.879 -5.602 4.068 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.112 -4.414 3.847 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.835 -6.479 4.353 1.00 0.00 N ATOM 0 H GLN A 88 -8.032 -8.267 4.248 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.918 -8.935 4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.479 -7.075 2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.203 -7.381 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.170 -6.465 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.781 -5.334 3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.596 -7.455 4.529 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.808 -6.177 4.395 1.00 0.00 H new ATOM 789 N VAL A 89 -8.752 -9.450 1.837 1.00 0.00 N ATOM 790 CA VAL A 89 -8.382 -10.400 0.792 1.00 0.00 C ATOM 791 C VAL A 89 -6.892 -10.324 0.458 1.00 0.00 C ATOM 792 O VAL A 89 -6.461 -10.802 -0.591 1.00 0.00 O ATOM 793 CB VAL A 89 -9.193 -10.159 -0.497 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.997 -11.307 -1.476 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.668 -9.972 -0.174 1.00 0.00 C ATOM 0 H VAL A 89 -8.197 -8.594 1.848 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.608 -11.392 1.184 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.828 -9.245 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.577 -11.118 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.941 -11.389 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.332 -12.237 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.224 -9.803 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.048 -10.866 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.790 -9.113 0.486 1.00 0.00 H new ATOM 805 N ASP A 90 -6.106 -9.724 1.353 1.00 0.00 N ATOM 806 CA ASP A 90 -4.664 -9.593 1.142 1.00 0.00 C ATOM 807 C ASP A 90 -4.356 -9.096 -0.269 1.00 0.00 C ATOM 808 O ASP A 90 -3.317 -9.427 -0.844 1.00 0.00 O ATOM 809 CB ASP A 90 -3.970 -10.934 1.386 1.00 0.00 C ATOM 810 CG ASP A 90 -2.642 -10.778 2.101 1.00 0.00 C ATOM 811 OD1 ASP A 90 -2.511 -9.833 2.908 1.00 0.00 O ATOM 812 OD2 ASP A 90 -1.734 -11.599 1.855 1.00 0.00 O ATOM 0 H ASP A 90 -6.442 -9.322 2.228 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.286 -8.858 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.624 -11.576 1.976 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.809 -11.435 0.432 1.00 0.00 H new ATOM 817 N HIS A 91 -5.264 -8.295 -0.818 1.00 0.00 N ATOM 818 CA HIS A 91 -5.095 -7.748 -2.159 1.00 0.00 C ATOM 819 C HIS A 91 -3.760 -7.023 -2.281 1.00 0.00 C ATOM 820 O HIS A 91 -3.090 -7.103 -3.311 1.00 0.00 O ATOM 821 CB HIS A 91 -6.244 -6.793 -2.488 1.00 0.00 C ATOM 822 CG HIS A 91 -7.266 -7.381 -3.412 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.594 -7.044 -3.317 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.105 -8.274 -4.419 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.210 -7.733 -4.261 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.349 -8.493 -4.954 1.00 0.00 N ATOM 0 H HIS A 91 -6.126 -8.010 -0.353 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.105 -8.574 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.734 -6.494 -1.561 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.836 -5.889 -2.939 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -9.018 -6.395 -2.654 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.177 -8.725 -4.738 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.272 -7.690 -4.451 1.00 0.00 H new ATOM 834 N SER A 92 -3.376 -6.322 -1.220 1.00 0.00 N ATOM 835 CA SER A 92 -2.116 -5.591 -1.207 1.00 0.00 C ATOM 836 C SER A 92 -0.944 -6.541 -1.435 1.00 0.00 C ATOM 837 O SER A 92 0.028 -6.196 -2.109 1.00 0.00 O ATOM 838 CB SER A 92 -1.941 -4.855 0.122 1.00 0.00 C ATOM 839 OG SER A 92 -1.331 -3.590 -0.071 1.00 0.00 O ATOM 0 H SER A 92 -3.919 -6.245 -0.360 1.00 0.00 H new ATOM 0 HA SER A 92 -2.136 -4.860 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.912 -4.725 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.332 -5.457 0.797 1.00 0.00 H new ATOM 0 HG SER A 92 -2.023 -2.913 -0.221 1.00 0.00 H new ATOM 845 N THR A 93 -1.049 -7.743 -0.877 1.00 0.00 N ATOM 846 CA THR A 93 -0.002 -8.745 -1.023 1.00 0.00 C ATOM 847 C THR A 93 0.042 -9.267 -2.454 1.00 0.00 C ATOM 848 O THR A 93 1.092 -9.262 -3.098 1.00 0.00 O ATOM 849 CB THR A 93 -0.231 -9.902 -0.050 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.409 -9.419 1.269 1.00 0.00 O ATOM 851 CG2 THR A 93 0.908 -10.897 -0.025 1.00 0.00 C ATOM 0 H THR A 93 -1.848 -8.045 -0.320 1.00 0.00 H new ATOM 0 HA THR A 93 0.955 -8.276 -0.792 1.00 0.00 H new ATOM 0 HB THR A 93 -1.126 -10.409 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.248 -8.715 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.681 -11.692 0.686 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.039 -11.325 -1.019 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.826 -10.392 0.276 1.00 0.00 H new ATOM 859 N ILE A 94 -1.106 -9.711 -2.954 1.00 0.00 N ATOM 860 CA ILE A 94 -1.184 -10.228 -4.317 1.00 0.00 C ATOM 861 C ILE A 94 -0.669 -9.194 -5.306 1.00 0.00 C ATOM 862 O ILE A 94 0.146 -9.501 -6.175 1.00 0.00 O ATOM 863 CB ILE A 94 -2.625 -10.621 -4.711 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.348 -11.287 -3.536 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.601 -11.543 -5.923 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.677 -11.910 -3.908 1.00 0.00 C ATOM 0 H ILE A 94 -1.988 -9.724 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.563 -11.123 -4.349 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.174 -9.716 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.702 -12.057 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.512 -10.545 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.621 -11.815 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.128 -11.031 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.037 -12.444 -5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.128 -12.361 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.342 -11.141 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.520 -12.677 -4.666 1.00 0.00 H new ATOM 878 N HIS A 95 -1.141 -7.961 -5.158 1.00 0.00 N ATOM 879 CA HIS A 95 -0.714 -6.874 -6.030 1.00 0.00 C ATOM 880 C HIS A 95 0.794 -6.675 -5.919 1.00 0.00 C ATOM 881 O HIS A 95 1.472 -6.417 -6.914 1.00 0.00 O ATOM 882 CB HIS A 95 -1.444 -5.575 -5.668 1.00 0.00 C ATOM 883 CG HIS A 95 -0.891 -4.361 -6.354 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.566 -3.646 -7.317 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.307 -3.739 -6.198 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.777 -2.636 -7.709 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.372 -2.648 -7.060 1.00 0.00 N ATOM 0 H HIS A 95 -1.818 -7.690 -4.444 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.963 -7.137 -7.058 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.498 -5.678 -5.925 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.391 -5.428 -4.589 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.501 -3.849 -7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.085 -4.043 -5.514 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.047 -1.907 -8.459 1.00 0.00 H new ATOM 895 N SER A 96 1.311 -6.804 -4.701 1.00 0.00 N ATOM 896 CA SER A 96 2.738 -6.643 -4.459 1.00 0.00 C ATOM 897 C SER A 96 3.543 -7.627 -5.300 1.00 0.00 C ATOM 898 O SER A 96 4.556 -7.270 -5.891 1.00 0.00 O ATOM 899 CB SER A 96 3.053 -6.841 -2.975 1.00 0.00 C ATOM 900 OG SER A 96 4.441 -7.047 -2.772 1.00 0.00 O ATOM 0 H SER A 96 0.763 -7.019 -3.868 1.00 0.00 H new ATOM 0 HA SER A 96 3.019 -5.630 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.725 -5.968 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.495 -7.696 -2.592 1.00 0.00 H new ATOM 0 HG SER A 96 4.949 -6.503 -3.409 1.00 0.00 H new ATOM 906 N GLN A 97 3.090 -8.871 -5.355 1.00 0.00 N ATOM 907 CA GLN A 97 3.785 -9.888 -6.134 1.00 0.00 C ATOM 908 C GLN A 97 3.625 -9.637 -7.632 1.00 0.00 C ATOM 909 O GLN A 97 4.600 -9.656 -8.385 1.00 0.00 O ATOM 910 CB GLN A 97 3.265 -11.282 -5.773 1.00 0.00 C ATOM 911 CG GLN A 97 4.070 -11.969 -4.679 1.00 0.00 C ATOM 912 CD GLN A 97 4.381 -11.047 -3.515 1.00 0.00 C ATOM 913 OE1 GLN A 97 5.516 -10.978 -3.047 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.366 -10.333 -3.043 1.00 0.00 N ATOM 0 H GLN A 97 2.252 -9.200 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 97 4.846 -9.832 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.227 -11.201 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.275 -11.907 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.516 -12.834 -4.314 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.003 -12.343 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.441 -10.423 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.512 -9.695 -2.261 1.00 0.00 H new ATOM 923 N GLU A 98 2.386 -9.405 -8.058 1.00 0.00 N ATOM 924 CA GLU A 98 2.084 -9.161 -9.467 1.00 0.00 C ATOM 925 C GLU A 98 2.988 -8.087 -10.074 1.00 0.00 C ATOM 926 O GLU A 98 3.548 -8.279 -11.154 1.00 0.00 O ATOM 927 CB GLU A 98 0.617 -8.753 -9.626 1.00 0.00 C ATOM 928 CG GLU A 98 -0.135 -9.578 -10.657 1.00 0.00 C ATOM 929 CD GLU A 98 -0.929 -8.722 -11.626 1.00 0.00 C ATOM 930 OE1 GLU A 98 -1.664 -7.826 -11.160 1.00 0.00 O ATOM 931 OE2 GLU A 98 -0.813 -8.946 -12.848 1.00 0.00 O ATOM 0 H GLU A 98 1.571 -9.381 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 98 2.270 -10.091 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.116 -8.846 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.570 -7.702 -9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.575 -10.189 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.811 -10.263 -10.145 1.00 0.00 H new ATOM 938 N THR A 99 3.120 -6.957 -9.389 1.00 0.00 N ATOM 939 CA THR A 99 3.948 -5.859 -9.885 1.00 0.00 C ATOM 940 C THR A 99 5.287 -5.782 -9.156 1.00 0.00 C ATOM 941 O THR A 99 6.026 -4.810 -9.308 1.00 0.00 O ATOM 942 CB THR A 99 3.207 -4.530 -9.737 1.00 0.00 C ATOM 943 OG1 THR A 99 2.770 -4.348 -8.402 1.00 0.00 O ATOM 944 CG2 THR A 99 1.996 -4.415 -10.638 1.00 0.00 C ATOM 0 H THR A 99 2.668 -6.775 -8.493 1.00 0.00 H new ATOM 0 HA THR A 99 4.149 -6.054 -10.939 1.00 0.00 H new ATOM 0 HB THR A 99 3.926 -3.764 -10.026 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.652 -3.392 -8.224 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.517 -3.448 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.307 -4.502 -11.679 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.290 -5.212 -10.402 1.00 0.00 H new ATOM 952 N LYS A 100 5.600 -6.802 -8.365 1.00 0.00 N ATOM 953 CA LYS A 100 6.855 -6.827 -7.622 1.00 0.00 C ATOM 954 C LYS A 100 6.967 -5.626 -6.682 1.00 0.00 C ATOM 955 O LYS A 100 8.065 -5.256 -6.264 1.00 0.00 O ATOM 956 CB LYS A 100 8.043 -6.846 -8.586 1.00 0.00 C ATOM 957 CG LYS A 100 8.202 -8.164 -9.328 1.00 0.00 C ATOM 958 CD LYS A 100 9.617 -8.708 -9.206 1.00 0.00 C ATOM 959 CE LYS A 100 9.895 -9.775 -10.252 1.00 0.00 C ATOM 960 NZ LYS A 100 9.671 -11.148 -9.719 1.00 0.00 N ATOM 0 H LYS A 100 5.006 -7.619 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 100 6.867 -7.735 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.924 -6.042 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.957 -6.640 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.496 -8.893 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.956 -8.022 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.332 -7.893 -9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.763 -9.126 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.252 -9.612 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.924 -9.684 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.871 -11.846 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.303 -11.314 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.682 -11.244 -9.412 1.00 0.00 H new ATOM 974 N HIS A 101 5.826 -5.035 -6.334 1.00 0.00 N ATOM 975 CA HIS A 101 5.798 -3.896 -5.424 1.00 0.00 C ATOM 976 C HIS A 101 5.681 -4.386 -3.985 1.00 0.00 C ATOM 977 O HIS A 101 4.584 -4.670 -3.506 1.00 0.00 O ATOM 978 CB HIS A 101 4.619 -2.974 -5.752 1.00 0.00 C ATOM 979 CG HIS A 101 4.649 -2.420 -7.142 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.565 -1.759 -7.673 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.643 -2.447 -8.061 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.922 -1.402 -8.893 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.173 -1.797 -9.174 1.00 0.00 N ATOM 0 H HIS A 101 4.908 -5.328 -6.670 1.00 0.00 H new ATOM 0 HA HIS A 101 6.725 -3.335 -5.542 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.689 -3.526 -5.612 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.609 -2.147 -5.042 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.670 -1.581 -7.218 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.619 -2.894 -7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.287 -0.860 -9.578 1.00 0.00 H new ATOM 991 N TYR A 102 6.814 -4.494 -3.300 1.00 0.00 N ATOM 992 CA TYR A 102 6.829 -4.963 -1.918 1.00 0.00 C ATOM 993 C TYR A 102 6.680 -3.809 -0.929 1.00 0.00 C ATOM 994 O TYR A 102 7.077 -3.925 0.230 1.00 0.00 O ATOM 995 CB TYR A 102 8.128 -5.715 -1.632 1.00 0.00 C ATOM 996 CG TYR A 102 8.482 -6.736 -2.688 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.624 -6.590 -3.464 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.674 -7.844 -2.906 1.00 0.00 C ATOM 999 CE1 TYR A 102 9.951 -7.522 -4.431 1.00 0.00 C ATOM 1000 CE2 TYR A 102 7.994 -8.780 -3.870 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.133 -8.616 -4.630 1.00 0.00 C ATOM 1002 OH TYR A 102 9.456 -9.546 -5.591 1.00 0.00 O ATOM 0 H TYR A 102 7.733 -4.264 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 102 5.979 -5.633 -1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.943 -4.996 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.043 -6.217 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.266 -5.736 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.781 -7.976 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.842 -7.395 -5.028 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.355 -9.636 -4.028 1.00 0.00 H new ATOM 0 HH TYR A 102 8.778 -10.254 -5.602 1.00 0.00 H new ATOM 1012 N LEU A 103 6.111 -2.700 -1.386 1.00 0.00 N ATOM 1013 CA LEU A 103 5.921 -1.538 -0.528 1.00 0.00 C ATOM 1014 C LEU A 103 4.456 -1.122 -0.492 1.00 0.00 C ATOM 1015 O LEU A 103 3.881 -0.743 -1.512 1.00 0.00 O ATOM 1016 CB LEU A 103 6.783 -0.374 -1.014 1.00 0.00 C ATOM 1017 CG LEU A 103 8.289 -0.578 -0.854 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.640 -0.822 0.606 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.767 -1.734 -1.719 1.00 0.00 C ATOM 0 H LEU A 103 5.775 -2.581 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 103 6.226 -1.810 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.565 -0.194 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.493 0.525 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 103 8.796 0.329 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.716 -0.965 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.333 0.037 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.122 -1.713 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.842 -1.864 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.253 -2.648 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.549 -1.520 -2.765 1.00 0.00 H new ATOM 1031 N THR A 104 3.859 -1.195 0.692 1.00 0.00 N ATOM 1032 CA THR A 104 2.459 -0.825 0.863 1.00 0.00 C ATOM 1033 C THR A 104 2.267 -0.023 2.145 1.00 0.00 C ATOM 1034 O THR A 104 2.812 -0.369 3.191 1.00 0.00 O ATOM 1035 CB THR A 104 1.579 -2.074 0.889 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.227 -1.729 1.126 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.990 -3.075 1.947 1.00 0.00 C ATOM 0 H THR A 104 4.321 -1.506 1.546 1.00 0.00 H new ATOM 0 HA THR A 104 2.164 -0.203 0.018 1.00 0.00 H new ATOM 0 HB THR A 104 1.703 -2.535 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.356 -2.301 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.324 -3.937 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.014 -3.400 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.928 -2.610 2.931 1.00 0.00 H new ATOM 1045 N VAL A 105 1.491 1.051 2.057 1.00 0.00 N ATOM 1046 CA VAL A 105 1.236 1.900 3.215 1.00 0.00 C ATOM 1047 C VAL A 105 -0.252 1.962 3.541 1.00 0.00 C ATOM 1048 O VAL A 105 -1.065 2.371 2.711 1.00 0.00 O ATOM 1049 CB VAL A 105 1.762 3.332 2.985 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.031 3.996 1.827 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.629 4.161 4.254 1.00 0.00 C ATOM 0 H VAL A 105 1.029 1.354 1.200 1.00 0.00 H new ATOM 0 HA VAL A 105 1.767 1.454 4.056 1.00 0.00 H new ATOM 0 HB VAL A 105 2.819 3.270 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.418 5.005 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.185 3.415 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.035 4.045 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.005 5.168 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.580 4.213 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.206 3.697 5.054 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.599 1.561 4.759 1.00 0.00 N ATOM 1062 CA ASN A 106 -1.988 1.578 5.203 1.00 0.00 C ATOM 1063 C ASN A 106 -2.422 2.999 5.537 1.00 0.00 C ATOM 1064 O ASN A 106 -1.831 3.651 6.396 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.172 0.674 6.423 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.120 0.915 7.487 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.169 1.907 8.214 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.157 0.006 7.580 1.00 0.00 N ATOM 0 H ASN A 106 0.062 1.220 5.457 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.611 1.202 4.392 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.161 0.842 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.133 -0.369 6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.582 0.115 8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.156 -0.801 6.957 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.451 3.478 4.850 1.00 0.00 N ATOM 1076 CA LEU A 107 -3.958 4.828 5.071 1.00 0.00 C ATOM 1077 C LEU A 107 -4.702 4.944 6.401 1.00 0.00 C ATOM 1078 O LEU A 107 -5.072 6.042 6.818 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.878 5.237 3.922 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.388 4.824 2.531 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.384 3.885 1.868 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.146 6.050 1.662 1.00 0.00 C ATOM 0 H LEU A 107 -3.952 2.952 4.134 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.101 5.500 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.862 4.800 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.002 6.320 3.942 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.443 4.294 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.017 3.604 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.503 2.991 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.346 4.387 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.798 5.736 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.075 6.610 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.391 6.683 2.128 1.00 0.00 H new ATOM 1094 N THR A 108 -4.929 3.812 7.062 1.00 0.00 N ATOM 1095 CA THR A 108 -5.635 3.804 8.338 1.00 0.00 C ATOM 1096 C THR A 108 -4.702 4.170 9.489 1.00 0.00 C ATOM 1097 O THR A 108 -5.116 4.812 10.454 1.00 0.00 O ATOM 1098 CB THR A 108 -6.260 2.431 8.586 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.791 1.899 7.384 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.376 2.456 9.608 1.00 0.00 C ATOM 0 H THR A 108 -4.635 2.891 6.736 1.00 0.00 H new ATOM 0 HA THR A 108 -6.424 4.554 8.290 1.00 0.00 H new ATOM 0 HB THR A 108 -5.451 1.810 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.337 1.057 7.170 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.775 1.450 9.736 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.989 2.817 10.561 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.169 3.120 9.264 1.00 0.00 H new ATOM 1108 N THR A 109 -3.443 3.757 9.383 1.00 0.00 N ATOM 1109 CA THR A 109 -2.456 4.042 10.422 1.00 0.00 C ATOM 1110 C THR A 109 -1.300 4.888 9.883 1.00 0.00 C ATOM 1111 O THR A 109 -0.452 5.350 10.647 1.00 0.00 O ATOM 1112 CB THR A 109 -1.912 2.738 11.007 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.856 1.692 10.862 1.00 0.00 O ATOM 1114 CG2 THR A 109 -1.565 2.842 12.476 1.00 0.00 C ATOM 0 H THR A 109 -3.082 3.225 8.591 1.00 0.00 H new ATOM 0 HA THR A 109 -2.957 4.611 11.205 1.00 0.00 H new ATOM 0 HB THR A 109 -1.000 2.528 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.489 0.866 11.240 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.185 1.883 12.829 1.00 0.00 H new ATOM 0 HG22 THR A 109 -0.803 3.608 12.616 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.457 3.109 13.043 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.269 5.089 8.568 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.216 5.877 7.936 1.00 0.00 C ATOM 1124 C LEU A 110 1.147 5.215 8.120 1.00 0.00 C ATOM 1125 O LEU A 110 2.167 5.895 8.241 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.196 7.296 8.513 1.00 0.00 C ATOM 1127 CG LEU A 110 -0.930 8.345 7.674 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -0.977 9.676 8.407 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -0.259 8.505 6.318 1.00 0.00 C ATOM 0 H LEU A 110 -1.962 4.716 7.919 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.428 5.931 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.639 7.274 9.509 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.841 7.609 8.633 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.953 8.005 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.502 10.410 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.501 9.551 9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 110 0.039 10.023 8.597 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.793 9.254 5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.774 8.823 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.277 7.552 5.789 1.00 0.00 H new ATOM 1141 N ARG A 111 1.161 3.885 8.141 1.00 0.00 N ATOM 1142 CA ARG A 111 2.402 3.137 8.310 1.00 0.00 C ATOM 1143 C ARG A 111 2.736 2.338 7.053 1.00 0.00 C ATOM 1144 O ARG A 111 1.855 1.742 6.431 1.00 0.00 O ATOM 1145 CB ARG A 111 2.300 2.198 9.513 1.00 0.00 C ATOM 1146 CG ARG A 111 1.700 2.853 10.748 1.00 0.00 C ATOM 1147 CD ARG A 111 2.750 3.088 11.824 1.00 0.00 C ATOM 1148 NE ARG A 111 3.201 4.477 11.855 1.00 0.00 N ATOM 1149 CZ ARG A 111 4.003 4.975 12.794 1.00 0.00 C ATOM 1150 NH1 ARG A 111 4.444 4.202 13.778 1.00 0.00 N ATOM 1151 NH2 ARG A 111 4.366 6.249 12.746 1.00 0.00 N ATOM 0 H ARG A 111 0.328 3.304 8.043 1.00 0.00 H new ATOM 0 HA ARG A 111 3.204 3.854 8.485 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.694 1.335 9.239 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.294 1.824 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.243 3.803 10.471 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.906 2.221 11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.339 2.819 12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.604 2.434 11.647 1.00 0.00 H new ATOM 0 HE ARG A 111 2.883 5.102 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.169 3.221 13.818 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.058 4.589 14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.031 6.847 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.980 6.632 13.465 1.00 0.00 H new ATOM 1165 N VAL A 112 4.014 2.330 6.685 1.00 0.00 N ATOM 1166 CA VAL A 112 4.469 1.605 5.503 1.00 0.00 C ATOM 1167 C VAL A 112 4.953 0.205 5.868 1.00 0.00 C ATOM 1168 O VAL A 112 5.440 -0.024 6.975 1.00 0.00 O ATOM 1169 CB VAL A 112 5.605 2.356 4.784 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.922 1.696 3.452 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.237 3.820 4.589 1.00 0.00 C ATOM 0 H VAL A 112 4.754 2.818 7.189 1.00 0.00 H new ATOM 0 HA VAL A 112 3.613 1.528 4.832 1.00 0.00 H new ATOM 0 HB VAL A 112 6.498 2.310 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.727 2.241 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.232 0.665 3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.034 1.709 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.051 4.335 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.331 3.890 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.065 4.284 5.560 1.00 0.00 H new ATOM 1181 N TRP A 113 4.811 -0.729 4.932 1.00 0.00 N ATOM 1182 CA TRP A 113 5.231 -2.107 5.159 1.00 0.00 C ATOM 1183 C TRP A 113 6.072 -2.630 3.997 1.00 0.00 C ATOM 1184 O TRP A 113 5.805 -2.324 2.832 1.00 0.00 O ATOM 1185 CB TRP A 113 4.009 -3.006 5.363 1.00 0.00 C ATOM 1186 CG TRP A 113 4.360 -4.438 5.628 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.446 -5.444 4.708 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.670 -5.025 6.896 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.792 -6.620 5.327 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.935 -6.390 6.670 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.750 -4.530 8.201 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.274 -7.263 7.701 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.086 -5.398 9.223 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.345 -6.751 8.968 1.00 0.00 C ATOM 0 H TRP A 113 4.409 -0.557 4.011 1.00 0.00 H new ATOM 0 HA TRP A 113 5.846 -2.124 6.059 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.421 -2.624 6.198 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.376 -2.953 4.477 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.268 -5.331 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.921 -7.519 4.862 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.553 -3.488 8.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.474 -8.307 7.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.150 -5.027 10.235 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.606 -7.403 9.788 1.00 0.00 H new ATOM 1205 N CYS A 114 7.087 -3.426 4.330 1.00 0.00 N ATOM 1206 CA CYS A 114 7.978 -4.009 3.333 1.00 0.00 C ATOM 1207 C CYS A 114 7.835 -5.530 3.307 1.00 0.00 C ATOM 1208 O CYS A 114 8.204 -6.212 4.264 1.00 0.00 O ATOM 1209 CB CYS A 114 9.427 -3.630 3.639 1.00 0.00 C ATOM 1210 SG CYS A 114 10.570 -3.933 2.273 1.00 0.00 S ATOM 0 H CYS A 114 7.312 -3.682 5.291 1.00 0.00 H new ATOM 0 HA CYS A 114 7.703 -3.616 2.354 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.467 -2.574 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.762 -4.191 4.511 1.00 0.00 H new ATOM 0 HG CYS A 114 11.532 -3.059 2.310 1.00 0.00 H new ATOM 1215 N TYR A 115 7.290 -6.053 2.211 1.00 0.00 N ATOM 1216 CA TYR A 115 7.090 -7.494 2.067 1.00 0.00 C ATOM 1217 C TYR A 115 8.418 -8.232 1.921 1.00 0.00 C ATOM 1218 O TYR A 115 8.612 -9.297 2.507 1.00 0.00 O ATOM 1219 CB TYR A 115 6.200 -7.790 0.857 1.00 0.00 C ATOM 1220 CG TYR A 115 4.722 -7.634 1.138 1.00 0.00 C ATOM 1221 CD1 TYR A 115 3.912 -6.876 0.301 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.136 -8.246 2.238 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.562 -6.732 0.552 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.786 -8.108 2.497 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.003 -7.350 1.651 1.00 0.00 C ATOM 1226 OH TYR A 115 0.658 -7.210 1.905 1.00 0.00 O ATOM 0 H TYR A 115 6.979 -5.502 1.411 1.00 0.00 H new ATOM 0 HA TYR A 115 6.600 -7.849 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.478 -7.124 0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.391 -8.808 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.346 -6.391 -0.561 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.746 -8.840 2.902 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.947 -6.139 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.346 -8.591 3.357 1.00 0.00 H new ATOM 0 HH TYR A 115 0.517 -7.103 2.869 1.00 0.00 H new ATOM 1236 N ALA A 116 9.327 -7.666 1.133 1.00 0.00 N ATOM 1237 CA ALA A 116 10.630 -8.280 0.910 1.00 0.00 C ATOM 1238 C ALA A 116 11.398 -8.419 2.218 1.00 0.00 C ATOM 1239 O ALA A 116 11.865 -9.505 2.565 1.00 0.00 O ATOM 1240 CB ALA A 116 11.433 -7.465 -0.092 1.00 0.00 C ATOM 0 H ALA A 116 9.185 -6.785 0.639 1.00 0.00 H new ATOM 0 HA ALA A 116 10.471 -9.279 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.404 -7.935 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.895 -7.420 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.577 -6.455 0.292 1.00 0.00 H new ATOM 1246 N CYS A 117 11.517 -7.314 2.943 1.00 0.00 N ATOM 1247 CA CYS A 117 12.219 -7.310 4.218 1.00 0.00 C ATOM 1248 C CYS A 117 11.443 -8.112 5.256 1.00 0.00 C ATOM 1249 O CYS A 117 12.026 -8.699 6.167 1.00 0.00 O ATOM 1250 CB CYS A 117 12.424 -5.875 4.707 1.00 0.00 C ATOM 1251 SG CYS A 117 13.926 -5.091 4.076 1.00 0.00 S ATOM 0 H CYS A 117 11.136 -6.409 2.669 1.00 0.00 H new ATOM 0 HA CYS A 117 13.194 -7.775 4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.562 -5.275 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.456 -5.874 5.797 1.00 0.00 H new ATOM 0 HG CYS A 117 13.614 -3.991 3.457 1.00 0.00 H new ATOM 1256 N SER A 118 10.119 -8.127 5.107 1.00 0.00 N ATOM 1257 CA SER A 118 9.239 -8.850 6.022 1.00 0.00 C ATOM 1258 C SER A 118 9.061 -8.080 7.327 1.00 0.00 C ATOM 1259 O SER A 118 9.174 -8.643 8.417 1.00 0.00 O ATOM 1260 CB SER A 118 9.780 -10.260 6.300 1.00 0.00 C ATOM 1261 OG SER A 118 10.652 -10.272 7.418 1.00 0.00 O ATOM 0 H SER A 118 9.630 -7.642 4.355 1.00 0.00 H new ATOM 0 HA SER A 118 8.264 -8.945 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.948 -10.941 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.309 -10.627 5.421 1.00 0.00 H new ATOM 0 HG SER A 118 11.465 -9.768 7.204 1.00 0.00 H new ATOM 1267 N LYS A 119 8.776 -6.787 7.208 1.00 0.00 N ATOM 1268 CA LYS A 119 8.579 -5.941 8.380 1.00 0.00 C ATOM 1269 C LYS A 119 8.071 -4.560 7.977 1.00 0.00 C ATOM 1270 O LYS A 119 7.997 -4.236 6.791 1.00 0.00 O ATOM 1271 CB LYS A 119 9.884 -5.807 9.166 1.00 0.00 C ATOM 1272 CG LYS A 119 11.033 -5.240 8.348 1.00 0.00 C ATOM 1273 CD LYS A 119 12.203 -6.211 8.272 1.00 0.00 C ATOM 1274 CE LYS A 119 12.725 -6.571 9.655 1.00 0.00 C ATOM 1275 NZ LYS A 119 12.503 -8.008 9.976 1.00 0.00 N ATOM 0 H LYS A 119 8.677 -6.304 6.315 1.00 0.00 H new ATOM 0 HA LYS A 119 7.829 -6.414 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.713 -5.165 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.170 -6.787 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.684 -5.011 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.367 -4.302 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.891 -7.117 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.006 -5.768 7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.790 -6.347 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.230 -5.951 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.363 -8.117 11.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.660 -8.350 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.332 -8.562 9.679 1.00 0.00 H new ATOM 1289 N GLU A 120 7.720 -3.752 8.972 1.00 0.00 N ATOM 1290 CA GLU A 120 7.217 -2.407 8.723 1.00 0.00 C ATOM 1291 C GLU A 120 8.365 -1.423 8.524 1.00 0.00 C ATOM 1292 O GLU A 120 9.439 -1.579 9.107 1.00 0.00 O ATOM 1293 CB GLU A 120 6.332 -1.948 9.884 1.00 0.00 C ATOM 1294 CG GLU A 120 7.054 -1.912 11.222 1.00 0.00 C ATOM 1295 CD GLU A 120 6.198 -2.428 12.361 1.00 0.00 C ATOM 1296 OE1 GLU A 120 5.661 -1.598 13.124 1.00 0.00 O ATOM 1297 OE2 GLU A 120 6.064 -3.663 12.490 1.00 0.00 O ATOM 0 H GLU A 120 7.775 -4.006 9.958 1.00 0.00 H new ATOM 0 HA GLU A 120 6.623 -2.432 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.944 -0.954 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.474 -2.615 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.963 -2.510 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.360 -0.888 11.438 1.00 0.00 H new ATOM 1304 N VAL A 121 8.130 -0.409 7.697 1.00 0.00 N ATOM 1305 CA VAL A 121 9.144 0.603 7.420 1.00 0.00 C ATOM 1306 C VAL A 121 8.541 2.003 7.442 1.00 0.00 C ATOM 1307 O VAL A 121 7.321 2.164 7.477 1.00 0.00 O ATOM 1308 CB VAL A 121 9.815 0.368 6.054 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.783 -0.804 6.127 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.767 0.137 4.975 1.00 0.00 C ATOM 0 H VAL A 121 7.247 -0.266 7.207 1.00 0.00 H new ATOM 0 HA VAL A 121 9.896 0.520 8.204 1.00 0.00 H new ATOM 0 HB VAL A 121 10.382 1.261 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.247 -0.954 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.555 -0.593 6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.242 -1.706 6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.261 -0.027 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.169 -0.738 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.119 1.011 4.904 1.00 0.00 H new ATOM 1320 N PHE A 122 9.404 3.014 7.421 1.00 0.00 N ATOM 1321 CA PHE A 122 8.955 4.401 7.439 1.00 0.00 C ATOM 1322 C PHE A 122 9.503 5.167 6.238 1.00 0.00 C ATOM 1323 O PHE A 122 10.674 5.032 5.887 1.00 0.00 O ATOM 1324 CB PHE A 122 9.392 5.085 8.735 1.00 0.00 C ATOM 1325 CG PHE A 122 10.881 5.094 8.936 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.608 6.263 8.768 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.553 3.936 9.291 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.978 6.274 8.951 1.00 0.00 C ATOM 1329 CE2 PHE A 122 12.923 3.942 9.476 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.635 5.113 9.306 1.00 0.00 C ATOM 0 H PHE A 122 10.417 2.899 7.392 1.00 0.00 H new ATOM 0 HA PHE A 122 7.866 4.403 7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.027 6.112 8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.923 4.580 9.579 1.00 0.00 H new ATOM 0 HD1 PHE A 122 11.098 7.174 8.491 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.000 3.018 9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.534 7.190 8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.436 3.033 9.753 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.705 5.120 9.451 1.00 0.00 H new