USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=30 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 82:sc= 1.27 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.83 K(o=-2.8,f=-11!) USER MOD Set 1.3: A 114 CYS SG : rot 150:sc= 0.637 USER MOD Set 1.4: A 117 CYS SG : rot 121:sc= 0.137 USER MOD Set 2.1: A 106 ASN : amide:sc= 0.595 K(o=1.8,f=-7.6!) USER MOD Set 2.2: A 109 THR OG1 : rot 76:sc= 1.19 USER MOD Set 3.1: A 74 CYS SG : rot 90:sc= -1.68 USER MOD Set 3.2: A 79 CYS SG : rot -157:sc=-0.00663 USER MOD Set 3.3: A 95 HIS : no HE2:sc= -1.08 K(o=-6.5,f=-7.7) USER MOD Set 3.4: A 99 THR OG1 : rot 155:sc= 0.659 USER MOD Set 3.5: A 101 HIS : no HE2:sc= -4.4 K(o=-6.5,f=-9.9) USER MOD Set 4.1: A 96 SER OG : rot 174:sc= -0.0344 USER MOD Set 4.2: A 97 GLN : amide:sc= -7.17! C(o=-7.2!,f=-10!) USER MOD Set 5.1: A 92 SER OG : rot -70:sc= 1.01 USER MOD Set 5.2: A 93 THR OG1 : rot 83:sc= -0.321! USER MOD Set 5.3: A 104 THR OG1 : rot 154:sc= -0.189 USER MOD Set 5.4: A 115 TYR OH : rot -58:sc= 0.773 USER MOD Set 6.1: A 61 CYS SG : rot 143:sc= -0.179 USER MOD Set 6.2: A 64 CYS SG : rot -35:sc= 0.577 USER MOD Set 6.3: A 84 CYS SG : rot 180:sc= -0.712 USER MOD Set 6.4: A 91 HIS : no HD1:sc= -1.65 K(o=-2,f=-0.81) USER MOD Single : A 44 SER OG : rot -78:sc= 1.16 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0918) USER MOD Single : A 55 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.6!) USER MOD Single : A 56 LYS NZ :NH3+ 148:sc= -0.192 (180deg=-0.673) USER MOD Single : A 57 SER OG : rot -13:sc= 0.806 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -4.02! C(o=-4!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.789 K(o=-0.79,f=-1.4!) USER MOD Single : A 80 SER OG : rot -141:sc= 0.399 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= -0.476 X(o=-0.48,f=0) 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 108 THR OG1 : rot 180:sc= 0.0181 USER MOD Single : A 118 SER OG : rot -76:sc= 0.538 USER MOD Single : A 119 LYS NZ :NH3+ -120:sc= 0.116 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.226 0.302 3.898 1.00 0.00 N ATOM 60 CA CYS A 39 15.808 -0.791 3.028 1.00 0.00 C ATOM 61 C CYS A 39 15.763 -0.333 1.566 1.00 0.00 C ATOM 62 O CYS A 39 15.265 0.753 1.259 1.00 0.00 O ATOM 63 CB CYS A 39 14.443 -1.330 3.486 1.00 0.00 C ATOM 64 SG CYS A 39 13.334 -1.844 2.152 1.00 0.00 S ATOM 0 HA CYS A 39 16.537 -1.598 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.609 -2.180 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.945 -0.560 4.075 1.00 0.00 H new ATOM 0 HG CYS A 39 13.643 -3.048 1.770 1.00 0.00 H new ATOM 69 N PRO A 40 16.288 -1.159 0.641 1.00 0.00 N ATOM 70 CA PRO A 40 16.314 -0.838 -0.793 1.00 0.00 C ATOM 71 C PRO A 40 14.927 -0.819 -1.427 1.00 0.00 C ATOM 72 O PRO A 40 14.592 0.095 -2.180 1.00 0.00 O ATOM 73 CB PRO A 40 17.154 -1.967 -1.396 1.00 0.00 C ATOM 74 CG PRO A 40 17.011 -3.099 -0.438 1.00 0.00 C ATOM 75 CD PRO A 40 16.902 -2.471 0.921 1.00 0.00 C ATOM 0 HA PRO A 40 16.714 0.160 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.795 -2.241 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.197 -1.670 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.127 -3.695 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.870 -3.768 -0.492 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.285 -3.069 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.878 -2.365 1.395 1.00 0.00 H new ATOM 83 N HIS A 41 14.127 -1.839 -1.129 1.00 0.00 N ATOM 84 CA HIS A 41 12.778 -1.951 -1.677 1.00 0.00 C ATOM 85 C HIS A 41 12.026 -0.621 -1.593 1.00 0.00 C ATOM 86 O HIS A 41 11.531 -0.114 -2.599 1.00 0.00 O ATOM 87 CB HIS A 41 12.001 -3.044 -0.938 1.00 0.00 C ATOM 88 CG HIS A 41 12.790 -4.299 -0.716 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.265 -4.640 0.529 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.163 -5.251 -1.607 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.912 -5.780 0.370 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.877 -6.190 -0.907 1.00 0.00 N ATOM 0 H HIS A 41 14.391 -2.604 -0.508 1.00 0.00 H new ATOM 0 HA HIS A 41 12.865 -2.219 -2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.674 -2.656 0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.103 -3.286 -1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.941 -5.267 -2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.407 -6.315 1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.300 -7.038 -1.285 1.00 0.00 H new ATOM 100 N LEU A 42 11.949 -0.065 -0.390 1.00 0.00 N ATOM 101 CA LEU A 42 11.265 1.202 -0.171 1.00 0.00 C ATOM 102 C LEU A 42 12.090 2.368 -0.705 1.00 0.00 C ATOM 103 O LEU A 42 11.548 3.322 -1.263 1.00 0.00 O ATOM 104 CB LEU A 42 10.986 1.401 1.321 1.00 0.00 C ATOM 105 CG LEU A 42 12.228 1.543 2.201 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.624 3.006 2.332 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.980 0.930 3.572 1.00 0.00 C ATOM 0 H LEU A 42 12.354 -0.474 0.452 1.00 0.00 H new ATOM 0 HA LEU A 42 10.319 1.174 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.369 2.291 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.400 0.555 1.681 1.00 0.00 H new ATOM 0 HG LEU A 42 13.051 1.007 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.510 3.088 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.841 3.414 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.805 3.566 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.874 1.039 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.145 1.439 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.744 -0.128 3.460 1.00 0.00 H new ATOM 119 N ASP A 43 13.406 2.287 -0.529 1.00 0.00 N ATOM 120 CA ASP A 43 14.307 3.337 -0.991 1.00 0.00 C ATOM 121 C ASP A 43 14.158 3.580 -2.493 1.00 0.00 C ATOM 122 O ASP A 43 14.515 4.646 -2.993 1.00 0.00 O ATOM 123 CB ASP A 43 15.757 2.971 -0.667 1.00 0.00 C ATOM 124 CG ASP A 43 16.720 4.108 -0.952 1.00 0.00 C ATOM 125 OD1 ASP A 43 16.251 5.212 -1.300 1.00 0.00 O ATOM 126 OD2 ASP A 43 17.945 3.894 -0.828 1.00 0.00 O ATOM 0 H ASP A 43 13.872 1.504 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 43 14.040 4.256 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.832 2.691 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.047 2.098 -1.251 1.00 0.00 H new ATOM 131 N SER A 44 13.636 2.587 -3.210 1.00 0.00 N ATOM 132 CA SER A 44 13.453 2.704 -4.652 1.00 0.00 C ATOM 133 C SER A 44 12.178 3.471 -4.986 1.00 0.00 C ATOM 134 O SER A 44 12.169 4.322 -5.876 1.00 0.00 O ATOM 135 CB SER A 44 13.407 1.317 -5.295 1.00 0.00 C ATOM 136 OG SER A 44 12.257 0.599 -4.881 1.00 0.00 O ATOM 0 H SER A 44 13.334 1.696 -2.816 1.00 0.00 H new ATOM 0 HA SER A 44 14.302 3.259 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.406 1.416 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 44 14.304 0.759 -5.027 1.00 0.00 H new ATOM 0 HG SER A 44 12.398 0.249 -3.976 1.00 0.00 H new ATOM 142 N VAL A 45 11.102 3.165 -4.269 1.00 0.00 N ATOM 143 CA VAL A 45 9.823 3.826 -4.494 1.00 0.00 C ATOM 144 C VAL A 45 9.851 5.267 -3.995 1.00 0.00 C ATOM 145 O VAL A 45 10.674 5.627 -3.153 1.00 0.00 O ATOM 146 CB VAL A 45 8.674 3.076 -3.795 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.499 1.689 -4.394 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.924 2.990 -2.298 1.00 0.00 C ATOM 0 H VAL A 45 11.091 2.464 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 45 9.651 3.821 -5.570 1.00 0.00 H new ATOM 0 HB VAL A 45 7.751 3.634 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.683 1.174 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.269 1.778 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.420 1.120 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.101 2.457 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.857 2.456 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.994 3.995 -1.882 1.00 0.00 H new ATOM 158 N GLY A 46 8.947 6.087 -4.521 1.00 0.00 N ATOM 159 CA GLY A 46 8.884 7.479 -4.117 1.00 0.00 C ATOM 160 C GLY A 46 7.785 7.741 -3.107 1.00 0.00 C ATOM 161 O GLY A 46 7.637 6.999 -2.134 1.00 0.00 O ATOM 0 H GLY A 46 8.257 5.812 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.843 7.774 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.721 8.102 -4.996 1.00 0.00 H new ATOM 165 N GLU A 47 7.010 8.796 -3.336 1.00 0.00 N ATOM 166 CA GLU A 47 5.917 9.151 -2.437 1.00 0.00 C ATOM 167 C GLU A 47 4.698 9.626 -3.220 1.00 0.00 C ATOM 168 O GLU A 47 4.823 10.141 -4.331 1.00 0.00 O ATOM 169 CB GLU A 47 6.367 10.241 -1.461 1.00 0.00 C ATOM 170 CG GLU A 47 5.623 10.213 -0.135 1.00 0.00 C ATOM 171 CD GLU A 47 5.184 11.593 0.316 1.00 0.00 C ATOM 172 OE1 GLU A 47 4.637 12.344 -0.517 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.388 11.921 1.504 1.00 0.00 O ATOM 0 H GLU A 47 7.118 9.420 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 47 5.639 8.260 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.435 10.130 -1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.226 11.216 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.748 9.569 -0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.264 9.772 0.628 1.00 0.00 H new ATOM 180 N ILE A 48 3.519 9.449 -2.633 1.00 0.00 N ATOM 181 CA ILE A 48 2.275 9.860 -3.273 1.00 0.00 C ATOM 182 C ILE A 48 1.745 11.153 -2.662 1.00 0.00 C ATOM 183 O ILE A 48 1.948 11.418 -1.478 1.00 0.00 O ATOM 184 CB ILE A 48 1.194 8.769 -3.155 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.759 7.410 -3.573 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.016 9.128 -4.003 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.798 6.263 -3.352 1.00 0.00 C ATOM 0 H ILE A 48 3.399 9.023 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 48 2.501 10.024 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 48 0.878 8.705 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.031 7.447 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.675 7.219 -3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.771 8.347 -3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.431 10.077 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.285 9.218 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.265 5.331 -3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.545 6.199 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.109 6.431 -3.932 1.00 0.00 H new ATOM 199 N THR A 49 1.066 11.953 -3.477 1.00 0.00 N ATOM 200 CA THR A 49 0.508 13.218 -3.013 1.00 0.00 C ATOM 201 C THR A 49 -0.760 12.987 -2.199 1.00 0.00 C ATOM 202 O THR A 49 -1.391 11.935 -2.299 1.00 0.00 O ATOM 203 CB THR A 49 0.205 14.134 -4.201 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.643 13.485 -5.131 1.00 0.00 O ATOM 205 CG2 THR A 49 1.446 14.581 -4.944 1.00 0.00 C ATOM 0 H THR A 49 0.889 11.748 -4.460 1.00 0.00 H new ATOM 0 HA THR A 49 1.248 13.698 -2.373 1.00 0.00 H new ATOM 0 HB THR A 49 -0.278 15.012 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.826 14.087 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.160 15.227 -5.774 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.099 15.129 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.974 13.708 -5.329 1.00 0.00 H new ATOM 213 N LYS A 50 -1.127 13.978 -1.394 1.00 0.00 N ATOM 214 CA LYS A 50 -2.321 13.884 -0.562 1.00 0.00 C ATOM 215 C LYS A 50 -3.568 13.713 -1.423 1.00 0.00 C ATOM 216 O LYS A 50 -4.528 13.056 -1.019 1.00 0.00 O ATOM 217 CB LYS A 50 -2.458 15.131 0.315 1.00 0.00 C ATOM 218 CG LYS A 50 -1.849 14.972 1.697 1.00 0.00 C ATOM 219 CD LYS A 50 -2.345 16.045 2.652 1.00 0.00 C ATOM 220 CE LYS A 50 -1.650 15.957 4.001 1.00 0.00 C ATOM 221 NZ LYS A 50 -1.919 14.659 4.680 1.00 0.00 N ATOM 0 H LYS A 50 -0.615 14.855 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.220 13.009 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.982 15.973 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.515 15.378 0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.097 13.988 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.763 15.022 1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.172 17.029 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.421 15.942 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.576 16.080 3.865 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.986 16.776 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.558 14.696 5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.944 14.482 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.443 13.892 4.163 1.00 0.00 H new ATOM 235 N GLU A 51 -3.547 14.309 -2.611 1.00 0.00 N ATOM 236 CA GLU A 51 -4.676 14.225 -3.530 1.00 0.00 C ATOM 237 C GLU A 51 -4.976 12.775 -3.898 1.00 0.00 C ATOM 238 O GLU A 51 -6.131 12.353 -3.899 1.00 0.00 O ATOM 239 CB GLU A 51 -4.388 15.035 -4.797 1.00 0.00 C ATOM 240 CG GLU A 51 -4.385 16.537 -4.570 1.00 0.00 C ATOM 241 CD GLU A 51 -2.989 17.127 -4.585 1.00 0.00 C ATOM 242 OE1 GLU A 51 -2.019 16.363 -4.396 1.00 0.00 O ATOM 243 OE2 GLU A 51 -2.864 18.353 -4.785 1.00 0.00 O ATOM 0 H GLU A 51 -2.760 14.856 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.551 14.640 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.420 14.735 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.136 14.791 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.987 17.018 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.858 16.757 -3.613 1.00 0.00 H new ATOM 250 N ASP A 52 -3.930 12.019 -4.212 1.00 0.00 N ATOM 251 CA ASP A 52 -4.087 10.617 -4.583 1.00 0.00 C ATOM 252 C ASP A 52 -4.440 9.764 -3.368 1.00 0.00 C ATOM 253 O ASP A 52 -5.269 8.857 -3.455 1.00 0.00 O ATOM 254 CB ASP A 52 -2.805 10.093 -5.233 1.00 0.00 C ATOM 255 CG ASP A 52 -2.806 10.270 -6.739 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.528 9.283 -7.451 1.00 0.00 O ATOM 257 OD2 ASP A 52 -3.087 11.394 -7.204 1.00 0.00 O ATOM 0 H ASP A 52 -2.966 12.352 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.905 10.549 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.947 10.614 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.686 9.036 -4.994 1.00 0.00 H new ATOM 262 N LEU A 53 -3.803 10.055 -2.240 1.00 0.00 N ATOM 263 CA LEU A 53 -4.047 9.309 -1.010 1.00 0.00 C ATOM 264 C LEU A 53 -5.449 9.576 -0.470 1.00 0.00 C ATOM 265 O LEU A 53 -6.061 8.702 0.146 1.00 0.00 O ATOM 266 CB LEU A 53 -3.001 9.671 0.049 1.00 0.00 C ATOM 267 CG LEU A 53 -1.621 9.038 -0.155 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.719 9.333 1.034 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.745 7.536 -0.372 1.00 0.00 C ATOM 0 H LEU A 53 -3.114 10.802 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.968 8.247 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.887 10.755 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.379 9.373 1.027 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.172 9.476 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.257 8.876 0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.601 10.411 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.166 8.924 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.754 7.106 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.216 7.080 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.354 7.345 -1.256 1.00 0.00 H new ATOM 281 N ILE A 54 -5.953 10.786 -0.698 1.00 0.00 N ATOM 282 CA ILE A 54 -7.284 11.160 -0.227 1.00 0.00 C ATOM 283 C ILE A 54 -8.342 10.173 -0.718 1.00 0.00 C ATOM 284 O ILE A 54 -9.233 9.778 0.033 1.00 0.00 O ATOM 285 CB ILE A 54 -7.656 12.598 -0.665 1.00 0.00 C ATOM 286 CG1 ILE A 54 -8.424 13.309 0.450 1.00 0.00 C ATOM 287 CG2 ILE A 54 -8.468 12.599 -1.957 1.00 0.00 C ATOM 288 CD1 ILE A 54 -7.609 13.517 1.707 1.00 0.00 C ATOM 0 H ILE A 54 -5.462 11.523 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.259 11.129 0.862 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.729 13.138 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.766 14.277 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.313 12.728 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.711 13.625 -2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.885 12.137 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.389 12.036 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.217 14.027 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.289 12.551 2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.733 14.124 1.477 1.00 0.00 H new ATOM 300 N GLN A 55 -8.233 9.779 -1.982 1.00 0.00 N ATOM 301 CA GLN A 55 -9.178 8.839 -2.574 1.00 0.00 C ATOM 302 C GLN A 55 -9.020 7.456 -1.958 1.00 0.00 C ATOM 303 O GLN A 55 -10.005 6.795 -1.625 1.00 0.00 O ATOM 304 CB GLN A 55 -8.977 8.765 -4.089 1.00 0.00 C ATOM 305 CG GLN A 55 -9.860 9.729 -4.867 1.00 0.00 C ATOM 306 CD GLN A 55 -10.861 9.017 -5.755 1.00 0.00 C ATOM 307 OE1 GLN A 55 -11.178 7.847 -5.539 1.00 0.00 O ATOM 308 NE2 GLN A 55 -11.364 9.720 -6.763 1.00 0.00 N ATOM 0 H GLN A 55 -7.500 10.096 -2.616 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.187 9.196 -2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.933 8.975 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.179 7.748 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.394 10.372 -4.167 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.233 10.376 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.073 10.687 -6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.041 9.293 -7.395 1.00 0.00 H new ATOM 317 N LYS A 56 -7.777 7.029 -1.799 1.00 0.00 N ATOM 318 CA LYS A 56 -7.486 5.728 -1.209 1.00 0.00 C ATOM 319 C LYS A 56 -7.887 5.719 0.263 1.00 0.00 C ATOM 320 O LYS A 56 -8.295 4.691 0.803 1.00 0.00 O ATOM 321 CB LYS A 56 -5.999 5.395 -1.354 1.00 0.00 C ATOM 322 CG LYS A 56 -5.407 5.816 -2.690 1.00 0.00 C ATOM 323 CD LYS A 56 -4.299 4.873 -3.136 1.00 0.00 C ATOM 324 CE LYS A 56 -2.965 5.592 -3.248 1.00 0.00 C ATOM 325 NZ LYS A 56 -2.757 6.171 -4.603 1.00 0.00 N ATOM 0 H LYS A 56 -6.952 7.564 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.063 4.969 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.446 5.883 -0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.862 4.321 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.192 5.838 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.013 6.829 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.212 4.051 -2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.559 4.435 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.917 6.386 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.157 4.895 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.194 7.042 -4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.253 5.485 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.679 6.392 -5.031 1.00 0.00 H new ATOM 339 N SER A 57 -7.765 6.879 0.901 1.00 0.00 N ATOM 340 CA SER A 57 -8.111 7.025 2.311 1.00 0.00 C ATOM 341 C SER A 57 -9.626 7.011 2.519 1.00 0.00 C ATOM 342 O SER A 57 -10.098 6.896 3.650 1.00 0.00 O ATOM 343 CB SER A 57 -7.523 8.323 2.867 1.00 0.00 C ATOM 344 OG SER A 57 -8.147 9.456 2.288 1.00 0.00 O ATOM 0 H SER A 57 -7.427 7.735 0.461 1.00 0.00 H new ATOM 0 HA SER A 57 -7.687 6.176 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.649 8.348 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.451 8.354 2.670 1.00 0.00 H new ATOM 0 HG SER A 57 -8.667 9.179 1.505 1.00 0.00 H new ATOM 350 N LEU A 58 -10.385 7.134 1.432 1.00 0.00 N ATOM 351 CA LEU A 58 -11.842 7.140 1.523 1.00 0.00 C ATOM 352 C LEU A 58 -12.364 5.817 2.084 1.00 0.00 C ATOM 353 O LEU A 58 -13.493 5.743 2.568 1.00 0.00 O ATOM 354 CB LEU A 58 -12.462 7.402 0.149 1.00 0.00 C ATOM 355 CG LEU A 58 -12.383 8.851 -0.332 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.690 8.937 -1.819 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.339 9.728 0.463 1.00 0.00 C ATOM 0 H LEU A 58 -10.018 7.230 0.485 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.130 7.941 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.967 6.765 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.509 7.101 0.177 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.368 9.213 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.629 9.976 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.967 8.340 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.694 8.557 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.270 10.756 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.359 9.366 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.074 9.691 1.520 1.00 0.00 H new ATOM 369 N GLY A 59 -11.534 4.779 2.025 1.00 0.00 N ATOM 370 CA GLY A 59 -11.934 3.484 2.542 1.00 0.00 C ATOM 371 C GLY A 59 -12.590 2.605 1.496 1.00 0.00 C ATOM 372 O GLY A 59 -13.653 2.033 1.736 1.00 0.00 O ATOM 0 H GLY A 59 -10.594 4.812 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.058 2.972 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.625 3.628 3.372 1.00 0.00 H new ATOM 376 N THR A 60 -11.957 2.489 0.332 1.00 0.00 N ATOM 377 CA THR A 60 -12.489 1.664 -0.745 1.00 0.00 C ATOM 378 C THR A 60 -11.364 0.979 -1.514 1.00 0.00 C ATOM 379 O THR A 60 -10.332 1.588 -1.798 1.00 0.00 O ATOM 380 CB THR A 60 -13.330 2.515 -1.698 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.533 3.510 -2.317 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.486 3.213 -1.015 1.00 0.00 C ATOM 0 H THR A 60 -11.077 2.955 0.112 1.00 0.00 H new ATOM 0 HA THR A 60 -13.121 0.894 -0.301 1.00 0.00 H new ATOM 0 HB THR A 60 -13.731 1.816 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.088 4.043 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.041 3.799 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.147 2.470 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.104 3.873 -0.236 1.00 0.00 H new ATOM 390 N CYS A 61 -11.571 -0.290 -1.853 1.00 0.00 N ATOM 391 CA CYS A 61 -10.577 -1.056 -2.595 1.00 0.00 C ATOM 392 C CYS A 61 -10.749 -0.854 -4.097 1.00 0.00 C ATOM 393 O CYS A 61 -11.867 -0.872 -4.610 1.00 0.00 O ATOM 394 CB CYS A 61 -10.678 -2.544 -2.248 1.00 0.00 C ATOM 395 SG CYS A 61 -9.255 -3.524 -2.783 1.00 0.00 S ATOM 0 H CYS A 61 -12.419 -0.809 -1.625 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.589 -0.696 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.792 -2.648 -1.169 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.580 -2.952 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.999 -4.439 -1.895 1.00 0.00 H new ATOM 400 N GLN A 62 -9.636 -0.662 -4.795 1.00 0.00 N ATOM 401 CA GLN A 62 -9.666 -0.453 -6.239 1.00 0.00 C ATOM 402 C GLN A 62 -9.930 -1.763 -6.984 1.00 0.00 C ATOM 403 O GLN A 62 -10.308 -1.752 -8.155 1.00 0.00 O ATOM 404 CB GLN A 62 -8.346 0.161 -6.711 1.00 0.00 C ATOM 405 CG GLN A 62 -8.527 1.384 -7.597 1.00 0.00 C ATOM 406 CD GLN A 62 -7.575 2.509 -7.241 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.433 2.269 -6.846 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.041 3.744 -7.378 1.00 0.00 N ATOM 0 H GLN A 62 -8.702 -0.647 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.482 0.234 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.752 0.438 -5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.779 -0.593 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.374 1.100 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.553 1.741 -7.512 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.994 3.896 -7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.446 4.541 -7.153 1.00 0.00 H new ATOM 417 N ASP A 63 -9.724 -2.886 -6.302 1.00 0.00 N ATOM 418 CA ASP A 63 -9.937 -4.196 -6.910 1.00 0.00 C ATOM 419 C ASP A 63 -11.317 -4.749 -6.558 1.00 0.00 C ATOM 420 O ASP A 63 -12.069 -5.169 -7.436 1.00 0.00 O ATOM 421 CB ASP A 63 -8.852 -5.174 -6.455 1.00 0.00 C ATOM 422 CG ASP A 63 -8.242 -5.941 -7.613 1.00 0.00 C ATOM 423 OD1 ASP A 63 -8.140 -7.181 -7.515 1.00 0.00 O ATOM 424 OD2 ASP A 63 -7.868 -5.300 -8.618 1.00 0.00 O ATOM 0 H ASP A 63 -9.411 -2.916 -5.332 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.882 -4.077 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.068 -4.625 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.278 -5.878 -5.741 1.00 0.00 H new ATOM 429 N CYS A 64 -11.638 -4.749 -5.268 1.00 0.00 N ATOM 430 CA CYS A 64 -12.925 -5.257 -4.801 1.00 0.00 C ATOM 431 C CYS A 64 -13.688 -4.184 -4.028 1.00 0.00 C ATOM 432 O CYS A 64 -13.319 -3.010 -4.047 1.00 0.00 O ATOM 433 CB CYS A 64 -12.716 -6.491 -3.921 1.00 0.00 C ATOM 434 SG CYS A 64 -11.830 -6.159 -2.378 1.00 0.00 S ATOM 0 H CYS A 64 -11.027 -4.404 -4.528 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.518 -5.536 -5.672 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.688 -6.923 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.165 -7.240 -4.490 1.00 0.00 H new ATOM 0 HG CYS A 64 -10.942 -5.231 -2.579 1.00 0.00 H new ATOM 439 N LYS A 65 -14.756 -4.597 -3.351 1.00 0.00 N ATOM 440 CA LYS A 65 -15.572 -3.673 -2.571 1.00 0.00 C ATOM 441 C LYS A 65 -15.730 -4.168 -1.136 1.00 0.00 C ATOM 442 O LYS A 65 -16.761 -4.733 -0.774 1.00 0.00 O ATOM 443 CB LYS A 65 -16.948 -3.503 -3.218 1.00 0.00 C ATOM 444 CG LYS A 65 -16.901 -2.837 -4.584 1.00 0.00 C ATOM 445 CD LYS A 65 -18.148 -2.007 -4.843 1.00 0.00 C ATOM 446 CE LYS A 65 -18.736 -2.296 -6.216 1.00 0.00 C ATOM 447 NZ LYS A 65 -20.225 -2.316 -6.191 1.00 0.00 N ATOM 0 H LYS A 65 -15.076 -5.565 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.066 -2.708 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.417 -4.482 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.581 -2.911 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.019 -2.200 -4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.802 -3.598 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.893 -2.218 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.903 -0.948 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -18.395 -1.540 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -18.366 -3.257 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -20.586 -2.516 -7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -20.551 -3.055 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -20.579 -1.391 -5.874 1.00 0.00 H new ATOM 529 N LEU A 71 -7.323 -0.269 5.284 1.00 0.00 N ATOM 530 CA LEU A 71 -7.068 -0.368 3.850 1.00 0.00 C ATOM 531 C LEU A 71 -5.612 -0.043 3.534 1.00 0.00 C ATOM 532 O LEU A 71 -4.980 0.763 4.218 1.00 0.00 O ATOM 533 CB LEU A 71 -7.998 0.571 3.077 1.00 0.00 C ATOM 534 CG LEU A 71 -9.171 -0.116 2.374 1.00 0.00 C ATOM 535 CD1 LEU A 71 -9.960 0.887 1.548 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.675 -1.256 1.498 1.00 0.00 C ATOM 0 HA LEU A 71 -7.266 -1.394 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.393 1.316 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.411 1.107 2.332 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.832 -0.530 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.790 0.380 1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.348 1.670 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.308 1.331 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.523 -1.733 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.991 -0.865 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.154 -1.989 2.115 1.00 0.00 H new ATOM 548 N TRP A 72 -5.082 -0.680 2.494 1.00 0.00 N ATOM 549 CA TRP A 72 -3.700 -0.462 2.088 1.00 0.00 C ATOM 550 C TRP A 72 -3.624 0.155 0.696 1.00 0.00 C ATOM 551 O TRP A 72 -4.556 0.038 -0.099 1.00 0.00 O ATOM 552 CB TRP A 72 -2.927 -1.782 2.117 1.00 0.00 C ATOM 553 CG TRP A 72 -2.953 -2.452 3.457 1.00 0.00 C ATOM 554 CD1 TRP A 72 -4.045 -2.958 4.100 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.834 -2.685 4.320 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.675 -3.494 5.309 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.322 -3.339 5.467 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.467 -2.407 4.234 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.492 -3.717 6.520 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.356 -2.782 5.279 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.159 -3.432 6.408 1.00 0.00 C ATOM 0 H TRP A 72 -5.590 -1.351 1.918 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.249 0.235 2.794 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.347 -2.458 1.372 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.892 -1.596 1.831 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.054 -2.940 3.714 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.304 -3.935 5.980 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.061 -1.908 3.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.886 -4.217 7.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.414 -2.570 5.224 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.511 -3.714 7.207 1.00 0.00 H new ATOM 572 N ALA A 73 -2.507 0.817 0.412 1.00 0.00 N ATOM 573 CA ALA A 73 -2.306 1.456 -0.882 1.00 0.00 C ATOM 574 C ALA A 73 -0.859 1.320 -1.341 1.00 0.00 C ATOM 575 O ALA A 73 0.070 1.457 -0.544 1.00 0.00 O ATOM 576 CB ALA A 73 -2.703 2.922 -0.809 1.00 0.00 C ATOM 0 H ALA A 73 -1.728 0.925 1.061 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.940 0.954 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.549 3.390 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.754 3.001 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.091 3.428 -0.062 1.00 0.00 H new ATOM 582 N CYS A 74 -0.672 1.049 -2.628 1.00 0.00 N ATOM 583 CA CYS A 74 0.665 0.894 -3.190 1.00 0.00 C ATOM 584 C CYS A 74 1.504 2.145 -2.947 1.00 0.00 C ATOM 585 O CYS A 74 1.076 3.260 -3.245 1.00 0.00 O ATOM 586 CB CYS A 74 0.580 0.601 -4.689 1.00 0.00 C ATOM 587 SG CYS A 74 2.129 0.015 -5.414 1.00 0.00 S ATOM 0 H CYS A 74 -1.429 0.932 -3.302 1.00 0.00 H new ATOM 0 HA CYS A 74 1.148 0.053 -2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.194 -0.147 -4.859 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.268 1.507 -5.209 1.00 0.00 H new ATOM 0 HG CYS A 74 2.179 -1.282 -5.342 1.00 0.00 H new ATOM 592 N LEU A 75 2.699 1.952 -2.396 1.00 0.00 N ATOM 593 CA LEU A 75 3.596 3.065 -2.103 1.00 0.00 C ATOM 594 C LEU A 75 4.390 3.485 -3.339 1.00 0.00 C ATOM 595 O LEU A 75 4.938 4.586 -3.385 1.00 0.00 O ATOM 596 CB LEU A 75 4.556 2.687 -0.975 1.00 0.00 C ATOM 597 CG LEU A 75 5.211 3.869 -0.258 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.309 4.387 0.851 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.570 3.470 0.299 1.00 0.00 C ATOM 0 H LEU A 75 3.068 1.035 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 75 2.983 3.910 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.013 2.092 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.340 2.050 -1.384 1.00 0.00 H new ATOM 0 HG LEU A 75 5.359 4.671 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.792 5.228 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.360 4.714 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.128 3.592 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.021 4.324 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.447 2.651 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.218 3.149 -0.517 1.00 0.00 H new ATOM 611 N GLU A 76 4.450 2.608 -4.338 1.00 0.00 N ATOM 612 CA GLU A 76 5.183 2.902 -5.566 1.00 0.00 C ATOM 613 C GLU A 76 4.722 4.226 -6.170 1.00 0.00 C ATOM 614 O GLU A 76 3.589 4.347 -6.634 1.00 0.00 O ATOM 615 CB GLU A 76 4.996 1.770 -6.580 1.00 0.00 C ATOM 616 CG GLU A 76 6.291 1.327 -7.241 1.00 0.00 C ATOM 617 CD GLU A 76 6.792 -0.002 -6.711 1.00 0.00 C ATOM 618 OE1 GLU A 76 6.364 -0.401 -5.607 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.611 -0.645 -7.399 1.00 0.00 O ATOM 0 H GLU A 76 4.002 1.692 -4.322 1.00 0.00 H new ATOM 0 HA GLU A 76 6.241 2.986 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.543 0.915 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.297 2.095 -7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.137 1.250 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.055 2.088 -7.082 1.00 0.00 H new ATOM 626 N ASN A 77 5.609 5.217 -6.156 1.00 0.00 N ATOM 627 CA ASN A 77 5.295 6.537 -6.697 1.00 0.00 C ATOM 628 C ASN A 77 4.742 6.435 -8.117 1.00 0.00 C ATOM 629 O ASN A 77 3.903 7.238 -8.525 1.00 0.00 O ATOM 630 CB ASN A 77 6.541 7.423 -6.687 1.00 0.00 C ATOM 631 CG ASN A 77 6.249 8.839 -7.112 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.111 9.192 -7.420 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.286 9.659 -7.130 1.00 0.00 N ATOM 0 H ASN A 77 6.552 5.131 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 77 4.530 6.985 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.970 7.430 -5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.292 6.996 -7.352 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.162 10.632 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.210 9.318 -6.866 1.00 0.00 H new ATOM 640 N ARG A 78 5.218 5.446 -8.862 1.00 0.00 N ATOM 641 CA ARG A 78 4.772 5.241 -10.235 1.00 0.00 C ATOM 642 C ARG A 78 3.427 4.517 -10.275 1.00 0.00 C ATOM 643 O ARG A 78 2.696 4.601 -11.262 1.00 0.00 O ATOM 644 CB ARG A 78 5.819 4.444 -11.018 1.00 0.00 C ATOM 645 CG ARG A 78 6.642 5.295 -11.971 1.00 0.00 C ATOM 646 CD ARG A 78 5.827 5.719 -13.183 1.00 0.00 C ATOM 647 NE ARG A 78 6.678 6.144 -14.293 1.00 0.00 N ATOM 648 CZ ARG A 78 7.303 5.303 -15.113 1.00 0.00 C ATOM 649 NH1 ARG A 78 7.177 3.992 -14.952 1.00 0.00 N ATOM 650 NH2 ARG A 78 8.056 5.775 -16.096 1.00 0.00 N ATOM 0 H ARG A 78 5.913 4.773 -8.539 1.00 0.00 H new ATOM 0 HA ARG A 78 4.647 6.220 -10.698 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.489 3.950 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.318 3.660 -11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.007 6.179 -11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.518 4.734 -12.298 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.198 4.889 -13.505 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.160 6.535 -12.904 1.00 0.00 H new ATOM 0 HE ARG A 78 6.800 7.145 -14.448 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.599 3.624 -14.197 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.658 3.352 -15.584 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.156 6.782 -16.223 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.536 5.131 -16.725 1.00 0.00 H new ATOM 664 N CYS A 79 3.109 3.802 -9.200 1.00 0.00 N ATOM 665 CA CYS A 79 1.853 3.062 -9.119 1.00 0.00 C ATOM 666 C CYS A 79 0.845 3.781 -8.229 1.00 0.00 C ATOM 667 O CYS A 79 1.218 4.479 -7.285 1.00 0.00 O ATOM 668 CB CYS A 79 2.106 1.651 -8.582 1.00 0.00 C ATOM 669 SG CYS A 79 0.910 0.420 -9.152 1.00 0.00 S ATOM 0 H CYS A 79 3.702 3.719 -8.374 1.00 0.00 H new ATOM 0 HA CYS A 79 1.436 2.997 -10.124 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.106 1.335 -8.878 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.090 1.680 -7.492 1.00 0.00 H new ATOM 0 HG CYS A 79 0.890 -0.582 -8.324 1.00 0.00 H new ATOM 674 N SER A 80 -0.434 3.603 -8.536 1.00 0.00 N ATOM 675 CA SER A 80 -1.504 4.227 -7.765 1.00 0.00 C ATOM 676 C SER A 80 -2.690 3.279 -7.629 1.00 0.00 C ATOM 677 O SER A 80 -3.777 3.547 -8.144 1.00 0.00 O ATOM 678 CB SER A 80 -1.946 5.532 -8.431 1.00 0.00 C ATOM 679 OG SER A 80 -1.193 6.632 -7.950 1.00 0.00 O ATOM 0 H SER A 80 -0.757 3.030 -9.316 1.00 0.00 H new ATOM 0 HA SER A 80 -1.124 4.451 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.827 5.451 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.006 5.701 -8.239 1.00 0.00 H new ATOM 0 HG SER A 80 -1.780 7.410 -7.846 1.00 0.00 H new ATOM 685 N TYR A 81 -2.471 2.164 -6.940 1.00 0.00 N ATOM 686 CA TYR A 81 -3.516 1.168 -6.743 1.00 0.00 C ATOM 687 C TYR A 81 -3.903 1.057 -5.271 1.00 0.00 C ATOM 688 O TYR A 81 -3.073 1.253 -4.383 1.00 0.00 O ATOM 689 CB TYR A 81 -3.050 -0.194 -7.264 1.00 0.00 C ATOM 690 CG TYR A 81 -3.877 -0.715 -8.418 1.00 0.00 C ATOM 691 CD1 TYR A 81 -5.008 -1.489 -8.192 1.00 0.00 C ATOM 692 CD2 TYR A 81 -3.526 -0.434 -9.733 1.00 0.00 C ATOM 693 CE1 TYR A 81 -5.767 -1.967 -9.243 1.00 0.00 C ATOM 694 CE2 TYR A 81 -4.279 -0.909 -10.790 1.00 0.00 C ATOM 695 CZ TYR A 81 -5.398 -1.674 -10.540 1.00 0.00 C ATOM 696 OH TYR A 81 -6.151 -2.150 -11.589 1.00 0.00 O ATOM 0 H TYR A 81 -1.578 1.928 -6.508 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.395 1.487 -7.303 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.009 -0.117 -7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.083 -0.917 -6.449 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.299 -1.721 -7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.650 0.166 -9.932 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.644 -2.567 -9.050 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -3.992 -0.682 -11.806 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.757 -1.853 -12.436 1.00 0.00 H new ATOM 706 N VAL A 82 -5.168 0.736 -5.022 1.00 0.00 N ATOM 707 CA VAL A 82 -5.669 0.591 -3.660 1.00 0.00 C ATOM 708 C VAL A 82 -6.069 -0.854 -3.381 1.00 0.00 C ATOM 709 O VAL A 82 -6.952 -1.400 -4.043 1.00 0.00 O ATOM 710 CB VAL A 82 -6.883 1.504 -3.404 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.261 1.489 -1.931 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.599 2.924 -3.875 1.00 0.00 C ATOM 0 H VAL A 82 -5.866 0.571 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.860 0.883 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.727 1.120 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.120 2.140 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.514 0.472 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.420 1.844 -1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.470 3.551 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.740 3.322 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.384 2.917 -4.944 1.00 0.00 H new ATOM 722 N GLY A 83 -5.412 -1.470 -2.405 1.00 0.00 N ATOM 723 CA GLY A 83 -5.715 -2.848 -2.066 1.00 0.00 C ATOM 724 C GLY A 83 -5.866 -3.066 -0.574 1.00 0.00 C ATOM 725 O GLY A 83 -5.406 -2.257 0.231 1.00 0.00 O ATOM 0 H GLY A 83 -4.676 -1.041 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.636 -3.147 -2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.922 -3.493 -2.444 1.00 0.00 H new ATOM 729 N CYS A 84 -6.509 -4.169 -0.206 1.00 0.00 N ATOM 730 CA CYS A 84 -6.719 -4.501 1.199 1.00 0.00 C ATOM 731 C CYS A 84 -5.752 -5.597 1.644 1.00 0.00 C ATOM 732 O CYS A 84 -5.385 -6.470 0.857 1.00 0.00 O ATOM 733 CB CYS A 84 -8.165 -4.945 1.439 1.00 0.00 C ATOM 734 SG CYS A 84 -8.814 -6.091 0.197 1.00 0.00 S ATOM 0 H CYS A 84 -6.894 -4.849 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.527 -3.606 1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.229 -5.417 2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.803 -4.062 1.469 1.00 0.00 H new ATOM 0 HG CYS A 84 -10.040 -6.404 0.494 1.00 0.00 H new ATOM 739 N GLY A 85 -5.337 -5.535 2.905 1.00 0.00 N ATOM 740 CA GLY A 85 -4.407 -6.517 3.433 1.00 0.00 C ATOM 741 C GLY A 85 -5.047 -7.869 3.684 1.00 0.00 C ATOM 742 O GLY A 85 -6.196 -8.102 3.309 1.00 0.00 O ATOM 0 H GLY A 85 -5.629 -4.821 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.580 -6.638 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.984 -6.143 4.366 1.00 0.00 H new ATOM 746 N GLU A 86 -4.292 -8.763 4.318 1.00 0.00 N ATOM 747 CA GLU A 86 -4.775 -10.107 4.624 1.00 0.00 C ATOM 748 C GLU A 86 -6.066 -10.064 5.437 1.00 0.00 C ATOM 749 O GLU A 86 -6.824 -11.035 5.466 1.00 0.00 O ATOM 750 CB GLU A 86 -3.705 -10.889 5.389 1.00 0.00 C ATOM 751 CG GLU A 86 -3.400 -12.251 4.787 1.00 0.00 C ATOM 752 CD GLU A 86 -4.567 -13.211 4.893 1.00 0.00 C ATOM 753 OE1 GLU A 86 -4.489 -14.153 5.708 1.00 0.00 O ATOM 754 OE2 GLU A 86 -5.561 -13.019 4.162 1.00 0.00 O ATOM 0 H GLU A 86 -3.339 -8.579 4.631 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.986 -10.609 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.788 -10.300 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.032 -11.022 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.130 -12.128 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.534 -12.681 5.291 1.00 0.00 H new ATOM 761 N SER A 87 -6.314 -8.938 6.098 1.00 0.00 N ATOM 762 CA SER A 87 -7.515 -8.781 6.910 1.00 0.00 C ATOM 763 C SER A 87 -8.777 -8.886 6.055 1.00 0.00 C ATOM 764 O SER A 87 -9.871 -9.101 6.577 1.00 0.00 O ATOM 765 CB SER A 87 -7.490 -7.435 7.639 1.00 0.00 C ATOM 766 OG SER A 87 -6.240 -7.220 8.270 1.00 0.00 O ATOM 0 H SER A 87 -5.701 -8.123 6.087 1.00 0.00 H new ATOM 0 HA SER A 87 -7.531 -9.587 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.686 -6.630 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.286 -7.406 8.383 1.00 0.00 H new ATOM 0 HG SER A 87 -6.249 -6.353 8.727 1.00 0.00 H new ATOM 772 N GLN A 88 -8.621 -8.734 4.741 1.00 0.00 N ATOM 773 CA GLN A 88 -9.755 -8.815 3.827 1.00 0.00 C ATOM 774 C GLN A 88 -9.503 -9.843 2.729 1.00 0.00 C ATOM 775 O GLN A 88 -10.105 -10.918 2.725 1.00 0.00 O ATOM 776 CB GLN A 88 -10.037 -7.446 3.208 1.00 0.00 C ATOM 777 CG GLN A 88 -10.341 -6.366 4.235 1.00 0.00 C ATOM 778 CD GLN A 88 -11.825 -6.077 4.357 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.235 -4.924 4.496 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.641 -7.124 4.308 1.00 0.00 N ATOM 0 H GLN A 88 -7.724 -8.555 4.289 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.626 -9.133 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.175 -7.140 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.881 -7.533 2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.954 -6.674 5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.818 -5.450 3.959 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.260 -8.063 4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.649 -6.989 4.387 1.00 0.00 H new ATOM 789 N VAL A 89 -8.616 -9.511 1.795 1.00 0.00 N ATOM 790 CA VAL A 89 -8.299 -10.413 0.692 1.00 0.00 C ATOM 791 C VAL A 89 -6.812 -10.385 0.340 1.00 0.00 C ATOM 792 O VAL A 89 -6.406 -10.898 -0.703 1.00 0.00 O ATOM 793 CB VAL A 89 -9.115 -10.064 -0.569 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.968 -11.154 -1.619 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.579 -9.847 -0.215 1.00 0.00 C ATOM 0 H VAL A 89 -8.106 -8.628 1.780 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.562 -11.415 1.032 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.725 -9.136 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.551 -10.890 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.918 -11.255 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.329 -12.100 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.139 -9.602 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.985 -10.756 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.663 -9.027 0.498 1.00 0.00 H new ATOM 805 N ASP A 90 -5.999 -9.787 1.210 1.00 0.00 N ATOM 806 CA ASP A 90 -4.558 -9.702 0.977 1.00 0.00 C ATOM 807 C ASP A 90 -4.256 -9.201 -0.433 1.00 0.00 C ATOM 808 O ASP A 90 -3.235 -9.556 -1.027 1.00 0.00 O ATOM 809 CB ASP A 90 -3.905 -11.069 1.193 1.00 0.00 C ATOM 810 CG ASP A 90 -2.468 -10.955 1.664 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.646 -11.809 1.269 1.00 0.00 O ATOM 812 OD2 ASP A 90 -2.167 -10.014 2.426 1.00 0.00 O ATOM 0 H ASP A 90 -6.312 -9.356 2.080 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.145 -8.989 1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.481 -11.632 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.936 -11.635 0.262 1.00 0.00 H new ATOM 817 N HIS A 91 -5.147 -8.366 -0.961 1.00 0.00 N ATOM 818 CA HIS A 91 -4.978 -7.809 -2.298 1.00 0.00 C ATOM 819 C HIS A 91 -3.634 -7.100 -2.416 1.00 0.00 C ATOM 820 O HIS A 91 -2.990 -7.136 -3.465 1.00 0.00 O ATOM 821 CB HIS A 91 -6.115 -6.838 -2.617 1.00 0.00 C ATOM 822 CG HIS A 91 -7.220 -7.453 -3.419 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.529 -7.078 -3.239 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.160 -8.404 -4.383 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.233 -7.803 -4.089 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.446 -8.621 -4.805 1.00 0.00 N ATOM 0 H HIS A 91 -5.994 -8.061 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.003 -8.628 -3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.525 -6.453 -1.684 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.711 -5.986 -3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.271 -8.896 -4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.306 -7.745 -4.195 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.747 -9.278 -5.525 1.00 0.00 H new ATOM 834 N SER A 92 -3.215 -6.461 -1.329 1.00 0.00 N ATOM 835 CA SER A 92 -1.943 -5.752 -1.308 1.00 0.00 C ATOM 836 C SER A 92 -0.794 -6.718 -1.580 1.00 0.00 C ATOM 837 O SER A 92 0.178 -6.372 -2.255 1.00 0.00 O ATOM 838 CB SER A 92 -1.738 -5.062 0.042 1.00 0.00 C ATOM 839 OG SER A 92 -0.655 -4.150 -0.010 1.00 0.00 O ATOM 0 H SER A 92 -3.737 -6.420 -0.454 1.00 0.00 H new ATOM 0 HA SER A 92 -1.959 -4.993 -2.090 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.648 -4.534 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.550 -5.811 0.812 1.00 0.00 H new ATOM 0 HG SER A 92 0.187 -4.646 -0.083 1.00 0.00 H new ATOM 845 N THR A 93 -0.918 -7.933 -1.057 1.00 0.00 N ATOM 846 CA THR A 93 0.105 -8.953 -1.247 1.00 0.00 C ATOM 847 C THR A 93 0.109 -9.440 -2.692 1.00 0.00 C ATOM 848 O THR A 93 1.155 -9.495 -3.338 1.00 0.00 O ATOM 849 CB THR A 93 -0.133 -10.129 -0.298 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.117 -9.693 1.050 1.00 0.00 O ATOM 851 CG2 THR A 93 0.897 -11.229 -0.435 1.00 0.00 C ATOM 0 H THR A 93 -1.716 -8.235 -0.499 1.00 0.00 H new ATOM 0 HA THR A 93 1.076 -8.512 -1.023 1.00 0.00 H new ATOM 0 HB THR A 93 -1.108 -10.531 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.998 -9.338 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.668 -12.031 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.878 -11.620 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.888 -10.829 -0.218 1.00 0.00 H new ATOM 859 N ILE A 94 -1.072 -9.783 -3.199 1.00 0.00 N ATOM 860 CA ILE A 94 -1.197 -10.255 -4.573 1.00 0.00 C ATOM 861 C ILE A 94 -0.669 -9.206 -5.542 1.00 0.00 C ATOM 862 O ILE A 94 0.162 -9.500 -6.401 1.00 0.00 O ATOM 863 CB ILE A 94 -2.658 -10.588 -4.945 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.364 -11.293 -3.782 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.697 -11.447 -6.201 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.720 -11.862 -4.143 1.00 0.00 C ATOM 0 H ILE A 94 -1.950 -9.743 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.608 -11.169 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.188 -9.657 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.727 -12.100 -3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.484 -10.587 -2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.732 -11.675 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.233 -10.906 -7.026 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.153 -12.375 -6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.156 -12.345 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.375 -11.057 -4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.606 -12.594 -4.943 1.00 0.00 H new ATOM 878 N HIS A 95 -1.148 -7.978 -5.385 1.00 0.00 N ATOM 879 CA HIS A 95 -0.713 -6.877 -6.235 1.00 0.00 C ATOM 880 C HIS A 95 0.795 -6.688 -6.118 1.00 0.00 C ATOM 881 O HIS A 95 1.473 -6.384 -7.099 1.00 0.00 O ATOM 882 CB HIS A 95 -1.439 -5.583 -5.850 1.00 0.00 C ATOM 883 CG HIS A 95 -0.897 -4.360 -6.527 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.569 -3.659 -7.502 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.286 -3.715 -6.350 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.794 -2.633 -7.880 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.344 -2.622 -7.210 1.00 0.00 N ATOM 0 H HIS A 95 -1.837 -7.720 -4.678 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.959 -7.118 -7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.496 -5.684 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.374 -5.448 -4.770 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.493 -3.881 -7.872 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.058 -4.004 -5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.065 -1.909 -8.634 1.00 0.00 H new ATOM 895 N SER A 96 1.313 -6.875 -4.907 1.00 0.00 N ATOM 896 CA SER A 96 2.741 -6.731 -4.657 1.00 0.00 C ATOM 897 C SER A 96 3.542 -7.700 -5.521 1.00 0.00 C ATOM 898 O SER A 96 4.558 -7.332 -6.103 1.00 0.00 O ATOM 899 CB SER A 96 3.050 -6.965 -3.176 1.00 0.00 C ATOM 900 OG SER A 96 4.415 -7.296 -2.983 1.00 0.00 O ATOM 0 H SER A 96 0.764 -7.126 -4.085 1.00 0.00 H new ATOM 0 HA SER A 96 3.031 -5.714 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.806 -6.069 -2.605 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.421 -7.768 -2.793 1.00 0.00 H new ATOM 0 HG SER A 96 4.609 -7.337 -2.023 1.00 0.00 H new ATOM 906 N GLN A 97 3.086 -8.942 -5.601 1.00 0.00 N ATOM 907 CA GLN A 97 3.780 -9.944 -6.400 1.00 0.00 C ATOM 908 C GLN A 97 3.625 -9.655 -7.892 1.00 0.00 C ATOM 909 O GLN A 97 4.602 -9.658 -8.641 1.00 0.00 O ATOM 910 CB GLN A 97 3.249 -11.343 -6.080 1.00 0.00 C ATOM 911 CG GLN A 97 3.797 -11.917 -4.783 1.00 0.00 C ATOM 912 CD GLN A 97 3.208 -11.250 -3.557 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.325 -11.802 -2.898 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.694 -10.054 -3.242 1.00 0.00 N ATOM 0 H GLN A 97 2.247 -9.279 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 97 4.840 -9.901 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.161 -11.305 -6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.500 -12.015 -6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.588 -12.986 -4.746 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.881 -11.803 -4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.425 -9.633 -3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.336 -9.557 -2.427 1.00 0.00 H new ATOM 923 N GLU A 98 2.389 -9.410 -8.315 1.00 0.00 N ATOM 924 CA GLU A 98 2.094 -9.128 -9.718 1.00 0.00 C ATOM 925 C GLU A 98 3.006 -8.043 -10.291 1.00 0.00 C ATOM 926 O GLU A 98 3.572 -8.206 -11.372 1.00 0.00 O ATOM 927 CB GLU A 98 0.631 -8.706 -9.873 1.00 0.00 C ATOM 928 CG GLU A 98 -0.314 -9.870 -10.121 1.00 0.00 C ATOM 929 CD GLU A 98 -1.730 -9.578 -9.665 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.676 -10.090 -10.302 1.00 0.00 O ATOM 931 OE2 GLU A 98 -1.893 -8.840 -8.671 1.00 0.00 O ATOM 0 H GLU A 98 1.572 -9.401 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 98 2.276 -10.045 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.316 -8.179 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.550 -8.001 -10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.320 -10.108 -11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.057 -10.752 -9.599 1.00 0.00 H new ATOM 938 N THR A 99 3.137 -6.933 -9.572 1.00 0.00 N ATOM 939 CA THR A 99 3.974 -5.826 -10.030 1.00 0.00 C ATOM 940 C THR A 99 5.291 -5.754 -9.262 1.00 0.00 C ATOM 941 O THR A 99 6.018 -4.766 -9.360 1.00 0.00 O ATOM 942 CB THR A 99 3.222 -4.503 -9.880 1.00 0.00 C ATOM 943 OG1 THR A 99 2.766 -4.333 -8.550 1.00 0.00 O ATOM 944 CG2 THR A 99 2.023 -4.386 -10.797 1.00 0.00 C ATOM 0 H THR A 99 2.678 -6.775 -8.675 1.00 0.00 H new ATOM 0 HA THR A 99 4.205 -6.004 -11.080 1.00 0.00 H new ATOM 0 HB THR A 99 3.941 -3.731 -10.152 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.652 -3.378 -8.363 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.536 -3.424 -10.638 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.350 -4.461 -11.834 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.319 -5.189 -10.579 1.00 0.00 H new ATOM 952 N LYS A 100 5.600 -6.796 -8.498 1.00 0.00 N ATOM 953 CA LYS A 100 6.835 -6.828 -7.723 1.00 0.00 C ATOM 954 C LYS A 100 6.926 -5.631 -6.774 1.00 0.00 C ATOM 955 O LYS A 100 8.014 -5.263 -6.331 1.00 0.00 O ATOM 956 CB LYS A 100 8.047 -6.843 -8.656 1.00 0.00 C ATOM 957 CG LYS A 100 8.321 -8.204 -9.277 1.00 0.00 C ATOM 958 CD LYS A 100 9.807 -8.522 -9.293 1.00 0.00 C ATOM 959 CE LYS A 100 10.166 -9.455 -10.438 1.00 0.00 C ATOM 960 NZ LYS A 100 10.453 -8.709 -11.694 1.00 0.00 N ATOM 0 H LYS A 100 5.015 -7.626 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 100 6.829 -7.739 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.891 -6.115 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.928 -6.523 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.790 -8.974 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.933 -8.225 -10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.377 -7.597 -9.384 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.092 -8.980 -8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.037 -10.050 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.345 -10.152 -10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.693 -9.382 -12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.614 -8.161 -11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.253 -8.062 -11.539 1.00 0.00 H new ATOM 974 N HIS A 101 5.777 -5.041 -6.451 1.00 0.00 N ATOM 975 CA HIS A 101 5.728 -3.905 -5.539 1.00 0.00 C ATOM 976 C HIS A 101 5.617 -4.398 -4.100 1.00 0.00 C ATOM 977 O HIS A 101 4.525 -4.709 -3.624 1.00 0.00 O ATOM 978 CB HIS A 101 4.539 -2.999 -5.870 1.00 0.00 C ATOM 979 CG HIS A 101 4.601 -2.393 -7.238 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.531 -1.712 -7.767 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.615 -2.390 -8.136 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.915 -1.310 -8.965 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.170 -1.697 -9.232 1.00 0.00 N ATOM 0 H HIS A 101 4.867 -5.333 -6.809 1.00 0.00 H new ATOM 0 HA HIS A 101 6.647 -3.330 -5.653 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.619 -3.576 -5.780 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.487 -2.199 -5.131 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.626 -1.550 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.586 -2.846 -8.012 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.296 -0.742 -9.643 1.00 0.00 H new ATOM 991 N TYR A 102 6.751 -4.482 -3.414 1.00 0.00 N ATOM 992 CA TYR A 102 6.774 -4.955 -2.033 1.00 0.00 C ATOM 993 C TYR A 102 6.603 -3.808 -1.037 1.00 0.00 C ATOM 994 O TYR A 102 6.987 -3.929 0.125 1.00 0.00 O ATOM 995 CB TYR A 102 8.084 -5.688 -1.749 1.00 0.00 C ATOM 996 CG TYR A 102 8.451 -6.709 -2.801 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.598 -6.559 -3.570 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.652 -7.822 -3.022 1.00 0.00 C ATOM 999 CE1 TYR A 102 9.937 -7.492 -4.533 1.00 0.00 C ATOM 1000 CE2 TYR A 102 7.984 -8.759 -3.982 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.127 -8.589 -4.735 1.00 0.00 C ATOM 1002 OH TYR A 102 9.462 -9.520 -5.691 1.00 0.00 O ATOM 0 H TYR A 102 7.665 -4.230 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 102 5.934 -5.639 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.889 -4.957 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.009 -6.186 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.235 -5.701 -3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.756 -7.958 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.832 -7.362 -5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.352 -9.620 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 102 8.788 -10.231 -5.706 1.00 0.00 H new ATOM 1012 N LEU A 103 6.025 -2.701 -1.492 1.00 0.00 N ATOM 1013 CA LEU A 103 5.810 -1.549 -0.624 1.00 0.00 C ATOM 1014 C LEU A 103 4.330 -1.194 -0.547 1.00 0.00 C ATOM 1015 O LEU A 103 3.712 -0.841 -1.552 1.00 0.00 O ATOM 1016 CB LEU A 103 6.606 -0.345 -1.124 1.00 0.00 C ATOM 1017 CG LEU A 103 8.114 -0.419 -0.880 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.414 -0.352 0.610 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.690 -1.689 -1.487 1.00 0.00 C ATOM 0 H LEU A 103 5.699 -2.577 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 103 6.157 -1.814 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.432 -0.233 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.219 0.553 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 103 8.586 0.436 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.491 -0.406 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.035 0.586 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.931 -1.188 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.764 -1.725 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.215 -2.558 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.505 -1.695 -2.561 1.00 0.00 H new ATOM 1031 N THR A 104 3.768 -1.293 0.651 1.00 0.00 N ATOM 1032 CA THR A 104 2.358 -0.983 0.858 1.00 0.00 C ATOM 1033 C THR A 104 2.157 -0.193 2.146 1.00 0.00 C ATOM 1034 O THR A 104 2.701 -0.546 3.191 1.00 0.00 O ATOM 1035 CB THR A 104 1.536 -2.271 0.900 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.170 -1.987 1.145 1.00 0.00 O ATOM 1037 CG2 THR A 104 2.001 -3.244 1.961 1.00 0.00 C ATOM 0 H THR A 104 4.265 -1.585 1.493 1.00 0.00 H new ATOM 0 HA THR A 104 2.019 -0.370 0.023 1.00 0.00 H new ATOM 0 HB THR A 104 1.674 -2.733 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.385 -2.706 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.375 -4.136 1.936 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.037 -3.523 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.926 -2.775 2.942 1.00 0.00 H new ATOM 1045 N VAL A 105 1.376 0.880 2.064 1.00 0.00 N ATOM 1046 CA VAL A 105 1.109 1.718 3.227 1.00 0.00 C ATOM 1047 C VAL A 105 -0.383 1.769 3.542 1.00 0.00 C ATOM 1048 O VAL A 105 -1.199 2.106 2.683 1.00 0.00 O ATOM 1049 CB VAL A 105 1.632 3.155 3.017 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.906 3.833 1.863 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.494 3.967 4.296 1.00 0.00 C ATOM 0 H VAL A 105 0.918 1.189 1.206 1.00 0.00 H new ATOM 0 HA VAL A 105 1.636 1.267 4.068 1.00 0.00 H new ATOM 0 HB VAL A 105 2.690 3.099 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.292 4.844 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.067 3.264 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.161 3.877 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.868 4.977 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.444 4.012 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.071 3.494 5.091 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.731 1.432 4.779 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.124 1.440 5.212 1.00 0.00 C ATOM 1063 C ASN A 106 -2.589 2.859 5.512 1.00 0.00 C ATOM 1064 O ASN A 106 -1.992 3.559 6.327 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.310 0.556 6.448 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.244 0.793 7.500 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.165 1.873 8.087 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.417 -0.217 7.742 1.00 0.00 N ATOM 0 H ASN A 106 -0.067 1.150 5.500 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.730 1.040 4.400 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.292 0.746 6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.292 -0.491 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.321 -0.116 8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.520 -1.094 7.231 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.657 3.280 4.843 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.205 4.620 5.034 1.00 0.00 C ATOM 1077 C LEU A 107 -4.907 4.753 6.386 1.00 0.00 C ATOM 1078 O LEU A 107 -5.292 5.853 6.786 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.183 4.955 3.906 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.718 4.548 2.505 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.802 3.756 1.788 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.328 5.774 1.694 1.00 0.00 C ATOM 0 H LEU A 107 -4.162 2.712 4.162 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.373 5.324 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.135 4.466 4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.369 6.029 3.913 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.840 3.910 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.451 3.477 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.032 2.856 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.700 4.368 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.000 5.465 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.188 6.438 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.516 6.300 2.197 1.00 0.00 H new ATOM 1094 N THR A 108 -5.082 3.634 7.084 1.00 0.00 N ATOM 1095 CA THR A 108 -5.748 3.641 8.382 1.00 0.00 C ATOM 1096 C THR A 108 -4.832 4.182 9.476 1.00 0.00 C ATOM 1097 O THR A 108 -5.267 4.937 10.345 1.00 0.00 O ATOM 1098 CB THR A 108 -6.218 2.232 8.745 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.451 1.464 7.576 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.490 2.218 9.565 1.00 0.00 C ATOM 0 H THR A 108 -4.772 2.713 6.773 1.00 0.00 H new ATOM 0 HA THR A 108 -6.613 4.301 8.307 1.00 0.00 H new ATOM 0 HB THR A 108 -5.414 1.805 9.344 1.00 0.00 H new ATOM 0 HG1 THR A 108 -6.749 0.565 7.829 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.768 1.188 9.788 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.328 2.760 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.291 2.696 9.002 1.00 0.00 H new ATOM 1108 N THR A 109 -3.565 3.789 9.429 1.00 0.00 N ATOM 1109 CA THR A 109 -2.590 4.233 10.422 1.00 0.00 C ATOM 1110 C THR A 109 -1.445 5.016 9.777 1.00 0.00 C ATOM 1111 O THR A 109 -0.577 5.541 10.473 1.00 0.00 O ATOM 1112 CB THR A 109 -2.031 3.030 11.185 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.098 1.859 10.393 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.764 2.751 12.480 1.00 0.00 C ATOM 0 H THR A 109 -3.187 3.165 8.716 1.00 0.00 H new ATOM 0 HA THR A 109 -3.104 4.898 11.116 1.00 0.00 H new ATOM 0 HB THR A 109 -0.998 3.290 11.419 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.394 1.884 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.318 1.886 12.971 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.689 3.619 13.135 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.813 2.546 12.267 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.446 5.091 8.449 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.404 5.810 7.725 1.00 0.00 C ATOM 1124 C LEU A 110 0.963 5.173 7.964 1.00 0.00 C ATOM 1125 O LEU A 110 1.965 5.869 8.132 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.384 7.282 8.144 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.162 8.226 7.225 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.358 9.579 7.891 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -0.443 8.385 5.894 1.00 0.00 C ATOM 0 H LEU A 110 -2.156 4.663 7.854 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.627 5.751 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.791 7.363 9.152 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.652 7.617 8.191 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.144 7.791 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.913 10.237 7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.915 9.450 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.386 10.021 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.010 9.060 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.552 8.797 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.355 7.412 5.410 1.00 0.00 H new ATOM 1141 N ARG A 111 0.996 3.845 7.977 1.00 0.00 N ATOM 1142 CA ARG A 111 2.240 3.111 8.194 1.00 0.00 C ATOM 1143 C ARG A 111 2.632 2.330 6.943 1.00 0.00 C ATOM 1144 O ARG A 111 1.775 1.792 6.242 1.00 0.00 O ATOM 1145 CB ARG A 111 2.097 2.156 9.382 1.00 0.00 C ATOM 1146 CG ARG A 111 1.375 2.763 10.575 1.00 0.00 C ATOM 1147 CD ARG A 111 2.329 3.534 11.471 1.00 0.00 C ATOM 1148 NE ARG A 111 1.853 3.596 12.851 1.00 0.00 N ATOM 1149 CZ ARG A 111 2.622 3.924 13.887 1.00 0.00 C ATOM 1150 NH1 ARG A 111 3.903 4.218 13.706 1.00 0.00 N ATOM 1151 NH2 ARG A 111 2.108 3.957 15.109 1.00 0.00 N ATOM 0 H ARG A 111 0.176 3.254 7.840 1.00 0.00 H new ATOM 0 HA ARG A 111 3.026 3.834 8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.558 1.266 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.089 1.831 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.586 3.428 10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.893 1.973 11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.311 3.061 11.447 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.452 4.546 11.084 1.00 0.00 H new ATOM 0 HE ARG A 111 0.874 3.375 13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.304 4.194 12.769 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.486 4.469 14.504 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.124 3.731 15.255 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.697 4.208 15.903 1.00 0.00 H new ATOM 1165 N VAL A 112 3.931 2.273 6.668 1.00 0.00 N ATOM 1166 CA VAL A 112 4.436 1.559 5.500 1.00 0.00 C ATOM 1167 C VAL A 112 4.865 0.141 5.865 1.00 0.00 C ATOM 1168 O VAL A 112 5.290 -0.119 6.990 1.00 0.00 O ATOM 1169 CB VAL A 112 5.628 2.296 4.860 1.00 0.00 C ATOM 1170 CG1 VAL A 112 6.038 1.624 3.558 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.291 3.762 4.629 1.00 0.00 C ATOM 0 H VAL A 112 4.654 2.713 7.238 1.00 0.00 H new ATOM 0 HA VAL A 112 3.619 1.515 4.780 1.00 0.00 H new ATOM 0 HB VAL A 112 6.472 2.246 5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.881 2.160 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.327 0.592 3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.200 1.638 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 112 6.146 4.265 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.431 3.837 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.054 4.235 5.582 1.00 0.00 H new ATOM 1181 N TRP A 113 4.751 -0.772 4.904 1.00 0.00 N ATOM 1182 CA TRP A 113 5.126 -2.165 5.122 1.00 0.00 C ATOM 1183 C TRP A 113 5.980 -2.688 3.969 1.00 0.00 C ATOM 1184 O TRP A 113 5.726 -2.378 2.803 1.00 0.00 O ATOM 1185 CB TRP A 113 3.875 -3.032 5.285 1.00 0.00 C ATOM 1186 CG TRP A 113 4.180 -4.486 5.487 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.224 -5.454 4.525 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.483 -5.137 6.725 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.536 -6.667 5.090 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.700 -6.498 6.440 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.593 -4.701 8.049 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.021 -7.425 7.429 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 4.911 -5.621 9.030 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.121 -6.969 8.715 1.00 0.00 C ATOM 0 H TRP A 113 4.402 -0.572 3.967 1.00 0.00 H new ATOM 0 HA TRP A 113 5.716 -2.218 6.037 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.298 -2.668 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.246 -2.920 4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.040 -5.290 3.473 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.630 -7.549 4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.432 -3.663 8.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.185 -8.465 7.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 4.999 -5.295 10.056 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.367 -7.664 9.504 1.00 0.00 H new ATOM 1205 N CYS A 114 6.991 -3.483 4.311 1.00 0.00 N ATOM 1206 CA CYS A 114 7.893 -4.057 3.317 1.00 0.00 C ATOM 1207 C CYS A 114 7.751 -5.578 3.266 1.00 0.00 C ATOM 1208 O CYS A 114 8.115 -6.276 4.215 1.00 0.00 O ATOM 1209 CB CYS A 114 9.339 -3.680 3.642 1.00 0.00 C ATOM 1210 SG CYS A 114 10.501 -3.961 2.287 1.00 0.00 S ATOM 0 H CYS A 114 7.206 -3.745 5.273 1.00 0.00 H new ATOM 0 HA CYS A 114 7.626 -3.653 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.374 -2.627 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.665 -4.253 4.510 1.00 0.00 H new ATOM 0 HG CYS A 114 11.469 -3.096 2.359 1.00 0.00 H new ATOM 1215 N TYR A 115 7.216 -6.082 2.156 1.00 0.00 N ATOM 1216 CA TYR A 115 7.022 -7.518 1.980 1.00 0.00 C ATOM 1217 C TYR A 115 8.356 -8.247 1.829 1.00 0.00 C ATOM 1218 O TYR A 115 8.552 -9.321 2.396 1.00 0.00 O ATOM 1219 CB TYR A 115 6.146 -7.792 0.754 1.00 0.00 C ATOM 1220 CG TYR A 115 4.669 -7.583 1.000 1.00 0.00 C ATOM 1221 CD1 TYR A 115 3.987 -8.342 1.943 1.00 0.00 C ATOM 1222 CD2 TYR A 115 3.956 -6.627 0.287 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.636 -8.155 2.168 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.605 -6.435 0.508 1.00 0.00 C ATOM 1225 CZ TYR A 115 1.951 -7.201 1.449 1.00 0.00 C ATOM 1226 OH TYR A 115 0.606 -7.012 1.670 1.00 0.00 O ATOM 0 H TYR A 115 6.909 -5.516 1.365 1.00 0.00 H new ATOM 0 HA TYR A 115 6.524 -7.894 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.465 -7.142 -0.061 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.308 -8.818 0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.521 -9.090 2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.465 -6.025 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.120 -8.754 2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.064 -5.688 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 115 0.127 -7.851 1.507 1.00 0.00 H new ATOM 1236 N ALA A 116 9.266 -7.658 1.060 1.00 0.00 N ATOM 1237 CA ALA A 116 10.577 -8.258 0.834 1.00 0.00 C ATOM 1238 C ALA A 116 11.328 -8.434 2.146 1.00 0.00 C ATOM 1239 O ALA A 116 11.795 -9.526 2.466 1.00 0.00 O ATOM 1240 CB ALA A 116 11.387 -7.407 -0.132 1.00 0.00 C ATOM 0 H ALA A 116 9.121 -6.768 0.584 1.00 0.00 H new ATOM 0 HA ALA A 116 10.430 -9.244 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.363 -7.866 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.860 -7.335 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.520 -6.409 0.286 1.00 0.00 H new ATOM 1246 N CYS A 117 11.429 -7.352 2.907 1.00 0.00 N ATOM 1247 CA CYS A 117 12.114 -7.384 4.191 1.00 0.00 C ATOM 1248 C CYS A 117 11.321 -8.213 5.195 1.00 0.00 C ATOM 1249 O CYS A 117 11.890 -8.825 6.099 1.00 0.00 O ATOM 1250 CB CYS A 117 12.314 -5.965 4.723 1.00 0.00 C ATOM 1251 SG CYS A 117 13.822 -5.164 4.132 1.00 0.00 S ATOM 0 H CYS A 117 11.045 -6.441 2.656 1.00 0.00 H new ATOM 0 HA CYS A 117 13.091 -7.846 4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.456 -5.357 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.334 -5.996 5.812 1.00 0.00 H new ATOM 0 HG CYS A 117 13.513 -4.076 3.491 1.00 0.00 H new ATOM 1256 N SER A 118 10.000 -8.222 5.026 1.00 0.00 N ATOM 1257 CA SER A 118 9.106 -8.968 5.910 1.00 0.00 C ATOM 1258 C SER A 118 8.916 -8.233 7.233 1.00 0.00 C ATOM 1259 O SER A 118 9.001 -8.827 8.308 1.00 0.00 O ATOM 1260 CB SER A 118 9.639 -10.386 6.155 1.00 0.00 C ATOM 1261 OG SER A 118 10.502 -10.430 7.279 1.00 0.00 O ATOM 0 H SER A 118 9.522 -7.717 4.279 1.00 0.00 H new ATOM 0 HA SER A 118 8.136 -9.047 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.803 -11.068 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.174 -10.733 5.271 1.00 0.00 H new ATOM 0 HG SER A 118 11.371 -10.046 7.039 1.00 0.00 H new ATOM 1267 N LYS A 119 8.655 -6.932 7.145 1.00 0.00 N ATOM 1268 CA LYS A 119 8.452 -6.114 8.335 1.00 0.00 C ATOM 1269 C LYS A 119 7.921 -4.734 7.964 1.00 0.00 C ATOM 1270 O LYS A 119 7.743 -4.421 6.787 1.00 0.00 O ATOM 1271 CB LYS A 119 9.760 -5.978 9.116 1.00 0.00 C ATOM 1272 CG LYS A 119 10.947 -5.586 8.250 1.00 0.00 C ATOM 1273 CD LYS A 119 11.262 -4.104 8.370 1.00 0.00 C ATOM 1274 CE LYS A 119 12.428 -3.856 9.313 1.00 0.00 C ATOM 1275 NZ LYS A 119 12.223 -2.637 10.144 1.00 0.00 N ATOM 0 H LYS A 119 8.579 -6.423 6.264 1.00 0.00 H new ATOM 0 HA LYS A 119 7.712 -6.610 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.630 -5.231 9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.978 -6.924 9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.820 -6.169 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.735 -5.830 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.497 -3.700 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.382 -3.572 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.559 -4.721 9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.346 -3.751 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.989 -1.958 9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.310 -2.202 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.227 -2.898 11.151 1.00 0.00 H new ATOM 1289 N GLU A 120 7.671 -3.912 8.978 1.00 0.00 N ATOM 1290 CA GLU A 120 7.160 -2.564 8.761 1.00 0.00 C ATOM 1291 C GLU A 120 8.305 -1.565 8.620 1.00 0.00 C ATOM 1292 O GLU A 120 9.276 -1.607 9.376 1.00 0.00 O ATOM 1293 CB GLU A 120 6.246 -2.152 9.918 1.00 0.00 C ATOM 1294 CG GLU A 120 4.984 -1.434 9.469 1.00 0.00 C ATOM 1295 CD GLU A 120 3.783 -1.772 10.332 1.00 0.00 C ATOM 1296 OE1 GLU A 120 3.356 -0.905 11.122 1.00 0.00 O ATOM 1297 OE2 GLU A 120 3.269 -2.905 10.216 1.00 0.00 O ATOM 0 H GLU A 120 7.814 -4.156 9.958 1.00 0.00 H new ATOM 0 HA GLU A 120 6.585 -2.563 7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.967 -3.041 10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.801 -1.504 10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.154 -0.358 9.495 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.769 -1.698 8.434 1.00 0.00 H new ATOM 1304 N VAL A 121 8.183 -0.666 7.648 1.00 0.00 N ATOM 1305 CA VAL A 121 9.206 0.344 7.408 1.00 0.00 C ATOM 1306 C VAL A 121 8.615 1.748 7.478 1.00 0.00 C ATOM 1307 O VAL A 121 7.398 1.918 7.546 1.00 0.00 O ATOM 1308 CB VAL A 121 9.880 0.148 6.037 1.00 0.00 C ATOM 1309 CG1 VAL A 121 10.634 -1.174 5.996 1.00 0.00 C ATOM 1310 CG2 VAL A 121 8.852 0.219 4.917 1.00 0.00 C ATOM 0 H VAL A 121 7.385 -0.617 7.014 1.00 0.00 H new ATOM 0 HA VAL A 121 9.956 0.228 8.190 1.00 0.00 H new ATOM 0 HB VAL A 121 10.598 0.955 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.104 -1.295 5.020 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.401 -1.180 6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.938 -1.995 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.349 0.078 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.106 -0.563 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.363 1.193 4.933 1.00 0.00 H new ATOM 1320 N PHE A 122 9.485 2.753 7.462 1.00 0.00 N ATOM 1321 CA PHE A 122 9.048 4.142 7.523 1.00 0.00 C ATOM 1322 C PHE A 122 9.565 4.931 6.324 1.00 0.00 C ATOM 1323 O PHE A 122 10.689 4.721 5.869 1.00 0.00 O ATOM 1324 CB PHE A 122 9.529 4.793 8.822 1.00 0.00 C ATOM 1325 CG PHE A 122 10.997 4.605 9.079 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.451 3.521 9.813 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.922 5.513 8.588 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.800 3.345 10.052 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.273 5.342 8.825 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.713 4.257 9.557 1.00 0.00 C ATOM 0 H PHE A 122 10.496 2.631 7.407 1.00 0.00 H new ATOM 0 HA PHE A 122 7.958 4.154 7.499 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.308 5.860 8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.966 4.377 9.658 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.742 2.806 10.203 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.584 6.363 8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.141 2.496 10.625 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.984 6.057 8.438 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.768 4.121 9.742 1.00 0.00 H new