USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 122:sc= 0.16 USER MOD Set 1.2: A 52 CYS SG : rot 140:sc= -1.91! USER MOD Set 1.3: A 62 CYS SG : rot -161:sc= 1.09 USER MOD Set 1.4: A 65 CYS SG : rot 146:sc= 0.208 USER MOD Set 2.1: A 10 CYS SG : rot 159:sc= 0.962 USER MOD Set 2.2: A 13 CYS SG : rot -40:sc= 1.73 USER MOD Set 2.3: A 27 CYS SG : rot -128:sc= 1.9 USER MOD Set 2.4: A 30 CYS SG : rot 83:sc= 0.277 USER MOD Set 2.5: A 56 GLN : amide:sc= -3.27! C(o=1.6!,f=2.6!) USER MOD Set 3.1: A 26 THR OG1 : rot 21:sc= -0.0184 USER MOD Set 3.2: A 75 MET CE :methyl -158:sc= -3.8 (180deg=-5.21!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -130:sc= 0.052 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -128:sc= -0.0999 (180deg=-0.807) USER MOD Single : A 21 HIS : no HD1:sc= -0.024 X(o=-0.024,f=-0.044) USER MOD Single : A 22 TYR OH : rot -163:sc= -1.95 USER MOD Single : A 24 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.169 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -31:sc= 1.15 USER MOD Single : A 41 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 44 TYR OH : rot 0:sc= -0.757 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.59 K(o=-2.6,f=-3.7!) USER MOD Single : A 63 GLN : amide:sc= 0.0792 X(o=0.079,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.408) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 53:sc= -0.0309 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.788 15.198 2.888 1.00 0.00 N ATOM 67 CA ILE A 8 -6.323 14.113 3.743 1.00 0.00 C ATOM 68 C ILE A 8 -5.120 13.405 3.128 1.00 0.00 C ATOM 69 O ILE A 8 -5.003 13.308 1.907 1.00 0.00 O ATOM 70 CB ILE A 8 -7.437 13.081 3.998 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.764 13.789 4.280 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.060 12.170 5.157 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.968 12.879 4.178 1.00 0.00 C ATOM 0 HA ILE A 8 -6.031 14.562 4.692 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.556 12.469 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.730 14.222 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.882 14.615 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.857 11.446 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.136 11.643 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.917 12.767 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.873 13.448 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.027 12.465 3.171 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.873 12.067 4.899 1.00 0.00 H new ATOM 85 N GLU A 9 -4.231 12.910 3.983 1.00 0.00 N ATOM 86 CA GLU A 9 -3.038 12.209 3.523 1.00 0.00 C ATOM 87 C GLU A 9 -3.169 10.706 3.747 1.00 0.00 C ATOM 88 O GLU A 9 -4.093 10.245 4.419 1.00 0.00 O ATOM 89 CB GLU A 9 -1.798 12.737 4.248 1.00 0.00 C ATOM 90 CG GLU A 9 -1.205 13.983 3.611 1.00 0.00 C ATOM 91 CD GLU A 9 -0.006 14.513 4.373 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.134 14.746 5.593 1.00 0.00 O ATOM 93 OE2 GLU A 9 1.061 14.695 3.749 1.00 0.00 O ATOM 0 H GLU A 9 -4.314 12.981 4.997 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.931 12.391 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.059 12.957 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.040 11.954 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.909 13.757 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.969 14.758 3.558 1.00 0.00 H new ATOM 100 N CYS A 10 -2.239 9.945 3.179 1.00 0.00 N ATOM 101 CA CYS A 10 -2.250 8.494 3.315 1.00 0.00 C ATOM 102 C CYS A 10 -1.600 8.065 4.627 1.00 0.00 C ATOM 103 O CYS A 10 -0.450 8.407 4.904 1.00 0.00 O ATOM 104 CB CYS A 10 -1.521 7.845 2.136 1.00 0.00 C ATOM 105 SG CYS A 10 -1.558 6.024 2.150 1.00 0.00 S ATOM 0 H CYS A 10 -1.468 10.310 2.620 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.288 8.163 3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.967 8.200 1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.483 8.177 2.138 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.333 5.576 0.950 1.00 0.00 H new ATOM 110 N VAL A 11 -2.344 7.313 5.432 1.00 0.00 N ATOM 111 CA VAL A 11 -1.841 6.836 6.714 1.00 0.00 C ATOM 112 C VAL A 11 -0.856 5.688 6.525 1.00 0.00 C ATOM 113 O VAL A 11 -0.424 5.060 7.492 1.00 0.00 O ATOM 114 CB VAL A 11 -2.988 6.368 7.628 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.824 7.553 8.086 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.852 5.339 6.914 1.00 0.00 C ATOM 0 H VAL A 11 -3.298 7.021 5.218 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.330 7.676 7.186 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.556 5.896 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.630 7.202 8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.194 8.251 8.638 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.248 8.057 7.217 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.658 5.019 7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.276 5.782 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.242 4.477 6.642 1.00 0.00 H new ATOM 126 N VAL A 12 -0.503 5.418 5.272 1.00 0.00 N ATOM 127 CA VAL A 12 0.433 4.346 4.955 1.00 0.00 C ATOM 128 C VAL A 12 1.747 4.904 4.421 1.00 0.00 C ATOM 129 O VAL A 12 2.824 4.570 4.917 1.00 0.00 O ATOM 130 CB VAL A 12 -0.158 3.373 3.917 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.831 2.261 3.603 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.477 2.801 4.415 1.00 0.00 C ATOM 0 H VAL A 12 -0.851 5.927 4.460 1.00 0.00 H new ATOM 0 HA VAL A 12 0.621 3.806 5.883 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.351 3.924 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.396 1.584 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.748 2.692 3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.059 1.709 4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.881 2.116 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.311 2.265 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.185 3.612 4.583 1.00 0.00 H new ATOM 142 N CYS A 13 1.653 5.757 3.407 1.00 0.00 N ATOM 143 CA CYS A 13 2.834 6.363 2.804 1.00 0.00 C ATOM 144 C CYS A 13 2.829 7.877 3.000 1.00 0.00 C ATOM 145 O CYS A 13 3.859 8.535 2.860 1.00 0.00 O ATOM 146 CB CYS A 13 2.898 6.032 1.312 1.00 0.00 C ATOM 147 SG CYS A 13 1.455 6.607 0.360 1.00 0.00 S ATOM 0 H CYS A 13 0.770 6.045 2.985 1.00 0.00 H new ATOM 0 HA CYS A 13 3.714 5.953 3.299 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.799 6.478 0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.991 4.952 1.194 1.00 0.00 H new ATOM 0 HG CYS A 13 0.373 6.419 1.056 1.00 0.00 H new ATOM 152 N GLY A 14 1.661 8.422 3.326 1.00 0.00 N ATOM 153 CA GLY A 14 1.543 9.853 3.536 1.00 0.00 C ATOM 154 C GLY A 14 1.038 10.580 2.306 1.00 0.00 C ATOM 155 O GLY A 14 0.770 11.781 2.353 1.00 0.00 O ATOM 0 H GLY A 14 0.794 7.898 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.865 10.040 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.515 10.257 3.819 1.00 0.00 H new ATOM 159 N ASP A 15 0.909 9.853 1.202 1.00 0.00 N ATOM 160 CA ASP A 15 0.433 10.436 -0.047 1.00 0.00 C ATOM 161 C ASP A 15 -1.004 10.928 0.096 1.00 0.00 C ATOM 162 O ASP A 15 -1.814 10.319 0.794 1.00 0.00 O ATOM 163 CB ASP A 15 0.525 9.413 -1.180 1.00 0.00 C ATOM 164 CG ASP A 15 0.349 10.045 -2.547 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.641 11.252 -2.684 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.080 9.333 -3.478 1.00 0.00 O ATOM 0 H ASP A 15 1.128 8.858 1.146 1.00 0.00 H new ATOM 0 HA ASP A 15 1.068 11.289 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.492 8.913 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.237 8.647 -1.036 1.00 0.00 H new ATOM 171 N LYS A 16 -1.313 12.036 -0.569 1.00 0.00 N ATOM 172 CA LYS A 16 -2.652 12.612 -0.518 1.00 0.00 C ATOM 173 C LYS A 16 -3.715 11.532 -0.694 1.00 0.00 C ATOM 174 O LYS A 16 -3.921 11.025 -1.797 1.00 0.00 O ATOM 175 CB LYS A 16 -2.811 13.681 -1.601 1.00 0.00 C ATOM 176 CG LYS A 16 -3.963 14.638 -1.346 1.00 0.00 C ATOM 177 CD LYS A 16 -5.282 14.065 -1.836 1.00 0.00 C ATOM 178 CE LYS A 16 -6.229 15.162 -2.300 1.00 0.00 C ATOM 179 NZ LYS A 16 -6.842 15.887 -1.153 1.00 0.00 N ATOM 0 H LYS A 16 -0.654 12.554 -1.150 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.786 13.073 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.885 14.252 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.962 13.192 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.031 14.851 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.768 15.586 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.096 13.372 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.751 13.493 -1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.686 15.869 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.015 14.726 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.480 16.626 -1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.381 15.218 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.093 16.324 -0.579 1.00 0.00 H new ATOM 193 N SER A 17 -4.388 11.187 0.399 1.00 0.00 N ATOM 194 CA SER A 17 -5.429 10.166 0.365 1.00 0.00 C ATOM 195 C SER A 17 -6.577 10.591 -0.546 1.00 0.00 C ATOM 196 O SER A 17 -6.967 11.758 -0.569 1.00 0.00 O ATOM 197 CB SER A 17 -5.956 9.898 1.776 1.00 0.00 C ATOM 198 OG SER A 17 -7.285 9.408 1.739 1.00 0.00 O ATOM 0 H SER A 17 -4.231 11.599 1.319 1.00 0.00 H new ATOM 0 HA SER A 17 -4.992 9.250 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.312 9.175 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.920 10.817 2.362 1.00 0.00 H new ATOM 0 HG SER A 17 -7.841 9.924 2.359 1.00 0.00 H new ATOM 204 N SER A 18 -7.113 9.634 -1.297 1.00 0.00 N ATOM 205 CA SER A 18 -8.213 9.908 -2.214 1.00 0.00 C ATOM 206 C SER A 18 -9.548 9.906 -1.476 1.00 0.00 C ATOM 207 O SER A 18 -10.537 10.459 -1.955 1.00 0.00 O ATOM 208 CB SER A 18 -8.238 8.871 -3.339 1.00 0.00 C ATOM 209 OG SER A 18 -8.913 9.373 -4.480 1.00 0.00 O ATOM 0 H SER A 18 -6.803 8.662 -1.288 1.00 0.00 H new ATOM 0 HA SER A 18 -8.057 10.897 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.218 8.596 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.731 7.964 -2.991 1.00 0.00 H new ATOM 0 HG SER A 18 -8.914 8.692 -5.185 1.00 0.00 H new ATOM 215 N GLY A 19 -9.569 9.278 -0.304 1.00 0.00 N ATOM 216 CA GLY A 19 -10.787 9.215 0.483 1.00 0.00 C ATOM 217 C GLY A 19 -10.719 8.163 1.573 1.00 0.00 C ATOM 218 O GLY A 19 -9.653 7.615 1.852 1.00 0.00 O ATOM 0 H GLY A 19 -8.764 8.812 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.975 10.189 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.630 8.999 -0.174 1.00 0.00 H new ATOM 222 N LYS A 20 -11.860 7.881 2.192 1.00 0.00 N ATOM 223 CA LYS A 20 -11.927 6.889 3.258 1.00 0.00 C ATOM 224 C LYS A 20 -12.167 5.494 2.689 1.00 0.00 C ATOM 225 O LYS A 20 -13.303 5.021 2.635 1.00 0.00 O ATOM 226 CB LYS A 20 -13.040 7.246 4.246 1.00 0.00 C ATOM 227 CG LYS A 20 -13.214 6.229 5.361 1.00 0.00 C ATOM 228 CD LYS A 20 -13.808 6.864 6.607 1.00 0.00 C ATOM 229 CE LYS A 20 -12.735 7.505 7.473 1.00 0.00 C ATOM 230 NZ LYS A 20 -12.080 6.512 8.370 1.00 0.00 N ATOM 0 H LYS A 20 -12.752 8.326 1.974 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.971 6.890 3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.826 8.220 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.980 7.341 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.861 5.421 5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.249 5.784 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.541 7.617 6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.339 6.107 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.983 7.970 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.179 8.299 8.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.102 6.861 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.587 5.606 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.093 6.375 8.074 1.00 0.00 H new ATOM 244 N HIS A 21 -11.090 4.839 2.266 1.00 0.00 N ATOM 245 CA HIS A 21 -11.184 3.497 1.703 1.00 0.00 C ATOM 246 C HIS A 21 -10.916 2.440 2.770 1.00 0.00 C ATOM 247 O HIS A 21 -9.849 2.420 3.384 1.00 0.00 O ATOM 248 CB HIS A 21 -10.194 3.336 0.548 1.00 0.00 C ATOM 249 CG HIS A 21 -10.504 4.204 -0.632 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.681 4.113 -1.345 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.783 5.185 -1.223 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.670 5.000 -2.324 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.529 5.664 -2.272 1.00 0.00 N ATOM 0 H HIS A 21 -10.143 5.216 2.303 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.197 3.358 1.326 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.191 3.568 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.186 2.294 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.803 5.528 -0.925 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.459 5.156 -3.044 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -10.248 6.411 -2.907 1.00 0.00 H new ATOM 261 N TYR A 22 -11.890 1.564 2.986 1.00 0.00 N ATOM 262 CA TYR A 22 -11.761 0.506 3.981 1.00 0.00 C ATOM 263 C TYR A 22 -11.785 1.081 5.394 1.00 0.00 C ATOM 264 O TYR A 22 -11.051 0.631 6.272 1.00 0.00 O ATOM 265 CB TYR A 22 -10.465 -0.276 3.759 1.00 0.00 C ATOM 266 CG TYR A 22 -10.253 -0.700 2.323 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.158 -1.539 1.685 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.147 -0.262 1.605 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.967 -1.930 0.374 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.949 -0.647 0.293 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.861 -1.481 -0.318 1.00 0.00 C ATOM 272 OH TYR A 22 -9.668 -1.868 -1.625 1.00 0.00 O ATOM 0 H TYR A 22 -12.779 1.565 2.485 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.609 -0.169 3.868 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.622 0.337 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.472 -1.162 4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.026 -1.891 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.430 0.391 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.680 -2.584 -0.107 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.084 -0.296 -0.251 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.737 -1.700 -1.882 1.00 0.00 H new ATOM 282 N GLY A 23 -12.637 2.081 5.604 1.00 0.00 N ATOM 283 CA GLY A 23 -12.743 2.702 6.911 1.00 0.00 C ATOM 284 C GLY A 23 -11.471 3.421 7.316 1.00 0.00 C ATOM 285 O GLY A 23 -11.219 3.626 8.503 1.00 0.00 O ATOM 0 H GLY A 23 -13.255 2.471 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.572 3.410 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.978 1.940 7.654 1.00 0.00 H new ATOM 289 N GLN A 24 -10.669 3.803 6.328 1.00 0.00 N ATOM 290 CA GLN A 24 -9.416 4.501 6.589 1.00 0.00 C ATOM 291 C GLN A 24 -9.037 5.397 5.414 1.00 0.00 C ATOM 292 O GLN A 24 -9.365 5.103 4.265 1.00 0.00 O ATOM 293 CB GLN A 24 -8.295 3.496 6.861 1.00 0.00 C ATOM 294 CG GLN A 24 -7.249 4.002 7.842 1.00 0.00 C ATOM 295 CD GLN A 24 -7.862 4.571 9.106 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.856 5.784 9.321 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.395 3.697 9.951 1.00 0.00 N ATOM 0 H GLN A 24 -10.864 3.641 5.340 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.555 5.127 7.470 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.730 2.575 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.807 3.245 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.577 3.185 8.105 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.644 4.769 7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.378 2.701 9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.822 4.022 10.819 1.00 0.00 H new ATOM 306 N PHE A 25 -8.345 6.492 5.711 1.00 0.00 N ATOM 307 CA PHE A 25 -7.923 7.432 4.680 1.00 0.00 C ATOM 308 C PHE A 25 -6.581 7.018 4.082 1.00 0.00 C ATOM 309 O PHE A 25 -5.535 7.159 4.717 1.00 0.00 O ATOM 310 CB PHE A 25 -7.822 8.845 5.258 1.00 0.00 C ATOM 311 CG PHE A 25 -9.152 9.439 5.625 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.129 9.629 4.662 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.424 9.808 6.932 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.355 10.175 4.995 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.647 10.354 7.272 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.613 10.539 6.302 1.00 0.00 C ATOM 0 H PHE A 25 -8.065 6.750 6.657 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.672 7.424 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.187 8.822 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.332 9.492 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.931 9.347 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.672 9.667 7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.109 10.316 4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.847 10.636 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.569 10.968 6.565 1.00 0.00 H new ATOM 326 N THR A 26 -6.619 6.506 2.856 1.00 0.00 N ATOM 327 CA THR A 26 -5.408 6.069 2.173 1.00 0.00 C ATOM 328 C THR A 26 -5.435 6.463 0.700 1.00 0.00 C ATOM 329 O THR A 26 -6.503 6.622 0.109 1.00 0.00 O ATOM 330 CB THR A 26 -5.220 4.544 2.281 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.427 3.874 1.898 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.841 4.145 3.699 1.00 0.00 C ATOM 0 H THR A 26 -7.475 6.384 2.316 1.00 0.00 H new ATOM 0 HA THR A 26 -4.572 6.566 2.665 1.00 0.00 H new ATOM 0 HB THR A 26 -4.413 4.251 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.975 4.474 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.714 3.064 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.908 4.634 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.630 4.451 4.386 1.00 0.00 H new ATOM 340 N CYS A 27 -4.253 6.619 0.113 1.00 0.00 N ATOM 341 CA CYS A 27 -4.141 6.995 -1.292 1.00 0.00 C ATOM 342 C CYS A 27 -4.531 5.831 -2.199 1.00 0.00 C ATOM 343 O CYS A 27 -4.501 4.672 -1.785 1.00 0.00 O ATOM 344 CB CYS A 27 -2.714 7.446 -1.608 1.00 0.00 C ATOM 345 SG CYS A 27 -1.485 6.102 -1.578 1.00 0.00 S ATOM 0 H CYS A 27 -3.359 6.491 0.588 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.826 7.822 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.702 7.913 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.418 8.210 -0.889 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.490 6.441 -0.813 1.00 0.00 H new ATOM 350 N GLU A 28 -4.895 6.149 -3.437 1.00 0.00 N ATOM 351 CA GLU A 28 -5.291 5.130 -4.402 1.00 0.00 C ATOM 352 C GLU A 28 -4.210 4.062 -4.540 1.00 0.00 C ATOM 353 O GLU A 28 -4.507 2.877 -4.679 1.00 0.00 O ATOM 354 CB GLU A 28 -5.571 5.767 -5.764 1.00 0.00 C ATOM 355 CG GLU A 28 -4.502 6.752 -6.207 1.00 0.00 C ATOM 356 CD GLU A 28 -3.490 6.130 -7.150 1.00 0.00 C ATOM 357 OE1 GLU A 28 -3.884 5.738 -8.268 1.00 0.00 O ATOM 358 OE2 GLU A 28 -2.305 6.036 -6.768 1.00 0.00 O ATOM 0 H GLU A 28 -4.924 7.104 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.202 4.655 -4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.660 4.980 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.532 6.280 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.977 7.601 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.985 7.140 -5.330 1.00 0.00 H new ATOM 365 N GLY A 29 -2.952 4.493 -4.501 1.00 0.00 N ATOM 366 CA GLY A 29 -1.845 3.563 -4.624 1.00 0.00 C ATOM 367 C GLY A 29 -1.883 2.474 -3.570 1.00 0.00 C ATOM 368 O GLY A 29 -1.679 1.299 -3.874 1.00 0.00 O ATOM 0 H GLY A 29 -2.681 5.470 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.866 3.107 -5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.905 4.109 -4.544 1.00 0.00 H new ATOM 372 N CYS A 30 -2.143 2.865 -2.327 1.00 0.00 N ATOM 373 CA CYS A 30 -2.205 1.915 -1.223 1.00 0.00 C ATOM 374 C CYS A 30 -3.561 1.215 -1.183 1.00 0.00 C ATOM 375 O CYS A 30 -3.649 0.025 -0.880 1.00 0.00 O ATOM 376 CB CYS A 30 -1.947 2.627 0.106 1.00 0.00 C ATOM 377 SG CYS A 30 -0.261 3.296 0.276 1.00 0.00 S ATOM 0 H CYS A 30 -2.314 3.834 -2.059 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.432 1.163 -1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.662 3.442 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.133 1.929 0.922 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.192 4.453 -0.313 1.00 0.00 H new ATOM 382 N LYS A 31 -4.615 1.962 -1.492 1.00 0.00 N ATOM 383 CA LYS A 31 -5.967 1.415 -1.494 1.00 0.00 C ATOM 384 C LYS A 31 -6.016 0.088 -2.244 1.00 0.00 C ATOM 385 O LYS A 31 -6.513 -0.912 -1.725 1.00 0.00 O ATOM 386 CB LYS A 31 -6.941 2.409 -2.131 1.00 0.00 C ATOM 387 CG LYS A 31 -8.332 1.842 -2.351 1.00 0.00 C ATOM 388 CD LYS A 31 -9.010 2.477 -3.554 1.00 0.00 C ATOM 389 CE LYS A 31 -8.361 2.036 -4.857 1.00 0.00 C ATOM 390 NZ LYS A 31 -9.120 2.517 -6.044 1.00 0.00 N ATOM 0 H LYS A 31 -4.559 2.949 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.262 1.239 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.014 3.291 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.537 2.738 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.267 0.764 -2.496 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.939 2.008 -1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.066 2.207 -3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.960 3.563 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.340 2.415 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.299 0.948 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.646 2.196 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.087 2.135 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.158 3.556 -6.034 1.00 0.00 H new ATOM 404 N SER A 32 -5.496 0.085 -3.468 1.00 0.00 N ATOM 405 CA SER A 32 -5.483 -1.119 -4.290 1.00 0.00 C ATOM 406 C SER A 32 -4.466 -2.127 -3.762 1.00 0.00 C ATOM 407 O SER A 32 -4.781 -3.301 -3.569 1.00 0.00 O ATOM 408 CB SER A 32 -5.161 -0.767 -5.743 1.00 0.00 C ATOM 409 OG SER A 32 -3.844 -0.259 -5.865 1.00 0.00 O ATOM 0 H SER A 32 -5.078 0.903 -3.912 1.00 0.00 H new ATOM 0 HA SER A 32 -6.474 -1.571 -4.244 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.272 -1.653 -6.368 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.874 -0.028 -6.108 1.00 0.00 H new ATOM 0 HG SER A 32 -3.662 -0.043 -6.803 1.00 0.00 H new ATOM 415 N PHE A 33 -3.245 -1.658 -3.530 1.00 0.00 N ATOM 416 CA PHE A 33 -2.180 -2.517 -3.025 1.00 0.00 C ATOM 417 C PHE A 33 -2.652 -3.313 -1.812 1.00 0.00 C ATOM 418 O PHE A 33 -2.266 -4.467 -1.624 1.00 0.00 O ATOM 419 CB PHE A 33 -0.954 -1.680 -2.654 1.00 0.00 C ATOM 420 CG PHE A 33 0.106 -2.459 -1.928 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.046 -3.196 -2.630 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.163 -2.453 -0.544 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.022 -3.914 -1.965 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.137 -3.169 0.127 1.00 0.00 C ATOM 425 CZ PHE A 33 2.068 -3.899 -0.585 1.00 0.00 C ATOM 0 H PHE A 33 -2.968 -0.688 -3.683 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.908 -3.218 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.525 -1.257 -3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.270 -0.844 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.016 -3.210 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.562 -1.882 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.748 -4.486 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.170 -3.157 1.206 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.831 -4.457 -0.063 1.00 0.00 H new ATOM 435 N PHE A 34 -3.490 -2.689 -0.992 1.00 0.00 N ATOM 436 CA PHE A 34 -4.015 -3.337 0.204 1.00 0.00 C ATOM 437 C PHE A 34 -4.999 -4.444 -0.164 1.00 0.00 C ATOM 438 O PHE A 34 -4.944 -5.546 0.381 1.00 0.00 O ATOM 439 CB PHE A 34 -4.700 -2.310 1.108 1.00 0.00 C ATOM 440 CG PHE A 34 -5.373 -2.919 2.305 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.637 -3.620 3.248 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.740 -2.791 2.488 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.253 -4.182 4.351 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.361 -3.350 3.589 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.617 -4.047 4.521 1.00 0.00 C ATOM 0 H PHE A 34 -3.821 -1.735 -1.134 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.178 -3.783 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.960 -1.585 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.440 -1.761 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.570 -3.728 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.327 -2.248 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.668 -4.726 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.427 -3.242 3.721 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.101 -4.486 5.381 1.00 0.00 H new ATOM 455 N LYS A 35 -5.900 -4.141 -1.093 1.00 0.00 N ATOM 456 CA LYS A 35 -6.897 -5.108 -1.537 1.00 0.00 C ATOM 457 C LYS A 35 -6.240 -6.256 -2.297 1.00 0.00 C ATOM 458 O LYS A 35 -6.323 -7.413 -1.885 1.00 0.00 O ATOM 459 CB LYS A 35 -7.940 -4.425 -2.425 1.00 0.00 C ATOM 460 CG LYS A 35 -8.743 -5.394 -3.275 1.00 0.00 C ATOM 461 CD LYS A 35 -9.265 -4.728 -4.537 1.00 0.00 C ATOM 462 CE LYS A 35 -9.761 -3.317 -4.258 1.00 0.00 C ATOM 463 NZ LYS A 35 -10.764 -2.872 -5.265 1.00 0.00 N ATOM 0 H LYS A 35 -5.960 -3.233 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.391 -5.515 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.623 -3.855 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.438 -3.712 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.119 -6.247 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.580 -5.782 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.474 -4.695 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.076 -5.324 -4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.204 -3.278 -3.263 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.916 -2.628 -4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.077 -1.906 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.334 -2.885 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.582 -3.514 -5.247 1.00 0.00 H new ATOM 477 N ARG A 36 -5.588 -5.928 -3.407 1.00 0.00 N ATOM 478 CA ARG A 36 -4.917 -6.933 -4.224 1.00 0.00 C ATOM 479 C ARG A 36 -4.274 -8.004 -3.349 1.00 0.00 C ATOM 480 O ARG A 36 -4.117 -9.151 -3.768 1.00 0.00 O ATOM 481 CB ARG A 36 -3.856 -6.276 -5.108 1.00 0.00 C ATOM 482 CG ARG A 36 -2.634 -5.799 -4.340 1.00 0.00 C ATOM 483 CD ARG A 36 -1.564 -5.259 -5.276 1.00 0.00 C ATOM 484 NE ARG A 36 -1.977 -4.015 -5.920 1.00 0.00 N ATOM 485 CZ ARG A 36 -1.130 -3.166 -6.491 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.171 -3.426 -6.498 1.00 0.00 N ATOM 487 NH2 ARG A 36 -1.582 -2.055 -7.058 1.00 0.00 N ATOM 0 H ARG A 36 -5.510 -4.975 -3.762 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.665 -7.408 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.540 -6.987 -5.871 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.302 -5.428 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.927 -5.022 -3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.225 -6.623 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.645 -5.089 -4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.340 -6.005 -6.039 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.971 -3.785 -5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.523 -4.280 -6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.819 -2.772 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.582 -1.852 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.930 -1.404 -7.496 1.00 0.00 H new ATOM 501 N SER A 37 -3.904 -7.622 -2.131 1.00 0.00 N ATOM 502 CA SER A 37 -3.273 -8.549 -1.198 1.00 0.00 C ATOM 503 C SER A 37 -4.295 -9.104 -0.210 1.00 0.00 C ATOM 504 O SER A 37 -4.198 -10.252 0.222 1.00 0.00 O ATOM 505 CB SER A 37 -2.141 -7.852 -0.441 1.00 0.00 C ATOM 506 OG SER A 37 -2.649 -6.864 0.439 1.00 0.00 O ATOM 0 H SER A 37 -4.030 -6.678 -1.767 1.00 0.00 H new ATOM 0 HA SER A 37 -2.860 -9.379 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.570 -8.588 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.453 -7.392 -1.151 1.00 0.00 H new ATOM 0 HG SER A 37 -3.472 -6.485 0.065 1.00 0.00 H new ATOM 512 N VAL A 38 -5.275 -8.279 0.144 1.00 0.00 N ATOM 513 CA VAL A 38 -6.316 -8.685 1.080 1.00 0.00 C ATOM 514 C VAL A 38 -7.346 -9.582 0.402 1.00 0.00 C ATOM 515 O VAL A 38 -7.593 -10.705 0.842 1.00 0.00 O ATOM 516 CB VAL A 38 -7.034 -7.465 1.686 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.270 -7.902 2.459 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.087 -6.679 2.580 1.00 0.00 C ATOM 0 H VAL A 38 -5.370 -7.325 -0.204 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.824 -9.241 1.878 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.354 -6.813 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.764 -7.026 2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.956 -8.418 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.976 -8.575 3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.611 -5.820 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.734 -7.319 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.236 -6.333 1.993 1.00 0.00 H new ATOM 528 N ARG A 39 -7.943 -9.079 -0.674 1.00 0.00 N ATOM 529 CA ARG A 39 -8.947 -9.834 -1.414 1.00 0.00 C ATOM 530 C ARG A 39 -8.363 -11.140 -1.944 1.00 0.00 C ATOM 531 O ARG A 39 -9.074 -12.133 -2.095 1.00 0.00 O ATOM 532 CB ARG A 39 -9.492 -8.998 -2.573 1.00 0.00 C ATOM 533 CG ARG A 39 -8.520 -8.861 -3.734 1.00 0.00 C ATOM 534 CD ARG A 39 -8.697 -9.985 -4.744 1.00 0.00 C ATOM 535 NE ARG A 39 -10.052 -10.024 -5.287 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.375 -10.658 -6.409 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.446 -11.302 -7.102 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.630 -10.649 -6.840 1.00 0.00 N ATOM 0 H ARG A 39 -7.749 -8.152 -1.052 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.763 -10.072 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.415 -9.451 -2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.748 -8.004 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.672 -7.901 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.497 -8.867 -3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.984 -9.856 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.469 -10.939 -4.268 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.790 -9.538 -4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.480 -11.312 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.697 -11.788 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.348 -10.155 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.877 -11.136 -7.702 1.00 0.00 H new ATOM 552 N ARG A 40 -7.064 -11.130 -2.225 1.00 0.00 N ATOM 553 CA ARG A 40 -6.385 -12.313 -2.740 1.00 0.00 C ATOM 554 C ARG A 40 -5.781 -13.132 -1.603 1.00 0.00 C ATOM 555 O ARG A 40 -5.519 -14.324 -1.755 1.00 0.00 O ATOM 556 CB ARG A 40 -5.290 -11.909 -3.729 1.00 0.00 C ATOM 557 CG ARG A 40 -5.823 -11.265 -4.999 1.00 0.00 C ATOM 558 CD ARG A 40 -4.876 -11.475 -6.170 1.00 0.00 C ATOM 559 NE ARG A 40 -3.868 -10.422 -6.253 1.00 0.00 N ATOM 560 CZ ARG A 40 -3.015 -10.299 -7.264 1.00 0.00 C ATOM 561 NH1 ARG A 40 -3.049 -11.160 -8.272 1.00 0.00 N ATOM 562 NH2 ARG A 40 -2.126 -9.314 -7.268 1.00 0.00 N ATOM 0 H ARG A 40 -6.461 -10.316 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.122 -12.928 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.608 -11.215 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.709 -12.792 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.799 -11.686 -5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.968 -10.197 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.383 -12.442 -6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.447 -11.504 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.816 -9.744 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.731 -11.918 -8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.393 -11.064 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.097 -8.650 -6.494 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.472 -9.221 -8.045 1.00 0.00 H new ATOM 576 N ASN A 41 -5.564 -12.483 -0.464 1.00 0.00 N ATOM 577 CA ASN A 41 -4.990 -13.150 0.699 1.00 0.00 C ATOM 578 C ASN A 41 -3.516 -13.471 0.469 1.00 0.00 C ATOM 579 O ASN A 41 -3.051 -14.567 0.786 1.00 0.00 O ATOM 580 CB ASN A 41 -5.761 -14.435 1.008 1.00 0.00 C ATOM 581 CG ASN A 41 -5.496 -14.945 2.411 1.00 0.00 C ATOM 582 OD1 ASN A 41 -4.942 -14.232 3.248 1.00 0.00 O ATOM 583 ND2 ASN A 41 -5.892 -16.185 2.674 1.00 0.00 N ATOM 0 H ASN A 41 -5.777 -11.496 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.068 -12.474 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.829 -14.253 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.484 -15.204 0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.741 -16.583 3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.347 -16.740 1.949 1.00 0.00 H new ATOM 590 N LEU A 42 -2.785 -12.509 -0.083 1.00 0.00 N ATOM 591 CA LEU A 42 -1.363 -12.688 -0.355 1.00 0.00 C ATOM 592 C LEU A 42 -0.530 -12.394 0.888 1.00 0.00 C ATOM 593 O LEU A 42 -1.038 -11.871 1.881 1.00 0.00 O ATOM 594 CB LEU A 42 -0.925 -11.779 -1.504 1.00 0.00 C ATOM 595 CG LEU A 42 -1.873 -11.706 -2.702 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.387 -10.672 -3.705 1.00 0.00 C ATOM 597 CD2 LEU A 42 -2.005 -13.072 -3.361 1.00 0.00 C ATOM 0 H LEU A 42 -3.154 -11.597 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.201 -13.727 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.789 -10.771 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.049 -12.117 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.857 -11.400 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.074 -10.634 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.345 -9.693 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.393 -10.946 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.683 -13.002 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.026 -13.407 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.401 -13.787 -2.640 1.00 0.00 H new ATOM 609 N THR A 43 0.755 -12.730 0.827 1.00 0.00 N ATOM 610 CA THR A 43 1.659 -12.501 1.946 1.00 0.00 C ATOM 611 C THR A 43 3.101 -12.364 1.469 1.00 0.00 C ATOM 612 O THR A 43 3.697 -13.324 0.981 1.00 0.00 O ATOM 613 CB THR A 43 1.578 -13.643 2.977 1.00 0.00 C ATOM 614 OG1 THR A 43 0.211 -13.899 3.318 1.00 0.00 O ATOM 615 CG2 THR A 43 2.363 -13.295 4.233 1.00 0.00 C ATOM 0 H THR A 43 1.193 -13.162 0.013 1.00 0.00 H new ATOM 0 HA THR A 43 1.346 -11.571 2.420 1.00 0.00 H new ATOM 0 HB THR A 43 2.014 -14.537 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.168 -14.627 3.973 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.291 -14.116 4.946 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.409 -13.130 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.952 -12.390 4.680 1.00 0.00 H new ATOM 623 N TYR A 44 3.655 -11.166 1.614 1.00 0.00 N ATOM 624 CA TYR A 44 5.027 -10.903 1.196 1.00 0.00 C ATOM 625 C TYR A 44 5.994 -11.068 2.364 1.00 0.00 C ATOM 626 O TYR A 44 5.586 -11.081 3.527 1.00 0.00 O ATOM 627 CB TYR A 44 5.145 -9.491 0.618 1.00 0.00 C ATOM 628 CG TYR A 44 3.913 -9.040 -0.134 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.630 -9.533 -1.402 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.033 -8.121 0.423 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.506 -9.123 -2.093 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.906 -7.706 -0.261 1.00 0.00 C ATOM 633 CZ TYR A 44 1.647 -8.210 -1.518 1.00 0.00 C ATOM 634 OH TYR A 44 0.526 -7.799 -2.203 1.00 0.00 O ATOM 0 H TYR A 44 3.175 -10.361 2.018 1.00 0.00 H new ATOM 0 HA TYR A 44 5.290 -11.628 0.425 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.342 -8.790 1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.004 -9.452 -0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.300 -10.249 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.233 -7.724 1.407 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.301 -9.515 -3.078 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.232 -6.991 0.187 1.00 0.00 H new ATOM 0 HH TYR A 44 0.492 -8.247 -3.074 1.00 0.00 H new ATOM 644 N THR A 45 7.279 -11.194 2.048 1.00 0.00 N ATOM 645 CA THR A 45 8.305 -11.360 3.069 1.00 0.00 C ATOM 646 C THR A 45 9.146 -10.096 3.213 1.00 0.00 C ATOM 647 O THR A 45 9.607 -9.529 2.222 1.00 0.00 O ATOM 648 CB THR A 45 9.233 -12.546 2.747 1.00 0.00 C ATOM 649 OG1 THR A 45 9.880 -13.001 3.940 1.00 0.00 O ATOM 650 CG2 THR A 45 10.279 -12.151 1.715 1.00 0.00 C ATOM 0 H THR A 45 7.634 -11.184 1.092 1.00 0.00 H new ATOM 0 HA THR A 45 7.787 -11.559 4.007 1.00 0.00 H new ATOM 0 HB THR A 45 8.625 -13.352 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.467 -13.756 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.923 -13.005 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.783 -11.835 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.882 -11.330 2.104 1.00 0.00 H new ATOM 658 N CYS A 46 9.343 -9.661 4.453 1.00 0.00 N ATOM 659 CA CYS A 46 10.129 -8.464 4.727 1.00 0.00 C ATOM 660 C CYS A 46 11.619 -8.791 4.775 1.00 0.00 C ATOM 661 O CYS A 46 12.074 -9.534 5.645 1.00 0.00 O ATOM 662 CB CYS A 46 9.692 -7.833 6.050 1.00 0.00 C ATOM 663 SG CYS A 46 10.728 -6.434 6.585 1.00 0.00 S ATOM 0 H CYS A 46 8.969 -10.120 5.284 1.00 0.00 H new ATOM 0 HA CYS A 46 9.956 -7.754 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.661 -7.492 5.954 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.704 -8.598 6.826 1.00 0.00 H new ATOM 0 HG CYS A 46 9.990 -5.372 6.714 1.00 0.00 H new ATOM 668 N ARG A 47 12.373 -8.231 3.835 1.00 0.00 N ATOM 669 CA ARG A 47 13.811 -8.464 3.769 1.00 0.00 C ATOM 670 C ARG A 47 14.553 -7.563 4.752 1.00 0.00 C ATOM 671 O ARG A 47 15.738 -7.282 4.579 1.00 0.00 O ATOM 672 CB ARG A 47 14.324 -8.219 2.349 1.00 0.00 C ATOM 673 CG ARG A 47 15.681 -8.846 2.075 1.00 0.00 C ATOM 674 CD ARG A 47 15.556 -10.326 1.750 1.00 0.00 C ATOM 675 NE ARG A 47 15.374 -10.559 0.320 1.00 0.00 N ATOM 676 CZ ARG A 47 15.686 -11.700 -0.284 1.00 0.00 C ATOM 677 NH1 ARG A 47 16.194 -12.706 0.414 1.00 0.00 N ATOM 678 NH2 ARG A 47 15.491 -11.835 -1.590 1.00 0.00 N ATOM 0 H ARG A 47 12.012 -7.613 3.108 1.00 0.00 H new ATOM 0 HA ARG A 47 13.999 -9.503 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.600 -8.615 1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.388 -7.145 2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.160 -8.329 1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.325 -8.717 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.449 -10.849 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.712 -10.747 2.296 1.00 0.00 H new ATOM 0 HE ARG A 47 14.986 -9.804 -0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.346 -12.605 1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.433 -13.581 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.101 -11.062 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.731 -12.711 -2.054 1.00 0.00 H new ATOM 692 N ALA A 48 13.846 -7.112 5.783 1.00 0.00 N ATOM 693 CA ALA A 48 14.437 -6.244 6.794 1.00 0.00 C ATOM 694 C ALA A 48 13.873 -6.549 8.177 1.00 0.00 C ATOM 695 O ALA A 48 13.099 -7.490 8.349 1.00 0.00 O ATOM 696 CB ALA A 48 14.205 -4.784 6.437 1.00 0.00 C ATOM 0 H ALA A 48 12.863 -7.334 5.940 1.00 0.00 H new ATOM 0 HA ALA A 48 15.510 -6.434 6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.652 -4.147 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.663 -4.568 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.134 -4.588 6.383 1.00 0.00 H new ATOM 702 N ASN A 49 14.266 -5.748 9.162 1.00 0.00 N ATOM 703 CA ASN A 49 13.800 -5.933 10.531 1.00 0.00 C ATOM 704 C ASN A 49 12.379 -5.404 10.699 1.00 0.00 C ATOM 705 O ASN A 49 12.060 -4.761 11.699 1.00 0.00 O ATOM 706 CB ASN A 49 14.739 -5.227 11.512 1.00 0.00 C ATOM 707 CG ASN A 49 16.071 -5.938 11.651 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.268 -6.736 12.567 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.994 -5.649 10.740 1.00 0.00 N ATOM 0 H ASN A 49 14.907 -4.964 9.037 1.00 0.00 H new ATOM 0 HA ASN A 49 13.798 -7.002 10.746 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.910 -4.204 11.175 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.260 -5.165 12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.910 -6.095 10.783 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.786 -4.981 9.998 1.00 0.00 H new ATOM 716 N ARG A 50 11.531 -5.679 9.713 1.00 0.00 N ATOM 717 CA ARG A 50 10.145 -5.230 9.751 1.00 0.00 C ATOM 718 C ARG A 50 10.048 -3.807 10.294 1.00 0.00 C ATOM 719 O ARG A 50 9.093 -3.460 10.986 1.00 0.00 O ATOM 720 CB ARG A 50 9.304 -6.174 10.613 1.00 0.00 C ATOM 721 CG ARG A 50 9.211 -7.586 10.057 1.00 0.00 C ATOM 722 CD ARG A 50 8.711 -8.566 11.107 1.00 0.00 C ATOM 723 NE ARG A 50 9.763 -8.945 12.046 1.00 0.00 N ATOM 724 CZ ARG A 50 9.531 -9.563 13.199 1.00 0.00 C ATOM 725 NH1 ARG A 50 8.291 -9.870 13.553 1.00 0.00 N ATOM 726 NH2 ARG A 50 10.541 -9.876 14.001 1.00 0.00 N ATOM 0 H ARG A 50 11.780 -6.210 8.879 1.00 0.00 H new ATOM 0 HA ARG A 50 9.759 -5.238 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.731 -6.215 11.615 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.299 -5.764 10.711 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.539 -7.597 9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.191 -7.903 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.881 -8.119 11.654 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.325 -9.459 10.615 1.00 0.00 H new ATOM 0 HE ARG A 50 10.729 -8.723 11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.512 -9.632 12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.116 -10.344 14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.497 -9.642 13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.361 -10.350 14.886 1.00 0.00 H new ATOM 740 N ASN A 51 11.046 -2.989 9.975 1.00 0.00 N ATOM 741 CA ASN A 51 11.074 -1.604 10.431 1.00 0.00 C ATOM 742 C ASN A 51 11.260 -0.648 9.257 1.00 0.00 C ATOM 743 O ASN A 51 11.599 0.521 9.441 1.00 0.00 O ATOM 744 CB ASN A 51 12.199 -1.404 11.449 1.00 0.00 C ATOM 745 CG ASN A 51 12.012 -2.253 12.691 1.00 0.00 C ATOM 746 OD1 ASN A 51 12.908 -2.999 13.088 1.00 0.00 O ATOM 747 ND2 ASN A 51 10.843 -2.143 13.313 1.00 0.00 N ATOM 0 H ASN A 51 11.845 -3.261 9.403 1.00 0.00 H new ATOM 0 HA ASN A 51 10.118 -1.385 10.907 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.154 -1.650 10.984 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.245 -0.353 11.734 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.660 -2.689 14.155 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.129 -1.512 12.949 1.00 0.00 H new ATOM 754 N CYS A 52 11.035 -1.153 8.048 1.00 0.00 N ATOM 755 CA CYS A 52 11.177 -0.345 6.843 1.00 0.00 C ATOM 756 C CYS A 52 10.295 0.898 6.914 1.00 0.00 C ATOM 757 O CYS A 52 9.090 0.822 7.155 1.00 0.00 O ATOM 758 CB CYS A 52 10.815 -1.170 5.606 1.00 0.00 C ATOM 759 SG CYS A 52 11.519 -2.850 5.601 1.00 0.00 S ATOM 0 H CYS A 52 10.754 -2.118 7.877 1.00 0.00 H new ATOM 0 HA CYS A 52 12.217 -0.027 6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.730 -1.242 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.158 -0.641 4.717 1.00 0.00 H new ATOM 0 HG CYS A 52 10.640 -3.687 5.135 1.00 0.00 H new ATOM 764 N PRO A 53 10.908 2.071 6.700 1.00 0.00 N ATOM 765 CA PRO A 53 10.198 3.353 6.734 1.00 0.00 C ATOM 766 C PRO A 53 9.249 3.522 5.552 1.00 0.00 C ATOM 767 O PRO A 53 9.623 4.077 4.519 1.00 0.00 O ATOM 768 CB PRO A 53 11.326 4.386 6.666 1.00 0.00 C ATOM 769 CG PRO A 53 12.447 3.677 5.988 1.00 0.00 C ATOM 770 CD PRO A 53 12.342 2.237 6.408 1.00 0.00 C ATOM 0 HA PRO A 53 9.569 3.447 7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.020 5.270 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.615 4.723 7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.372 3.774 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.409 4.099 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.672 1.563 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.957 2.028 7.283 1.00 0.00 H new ATOM 778 N ILE A 54 8.021 3.041 5.712 1.00 0.00 N ATOM 779 CA ILE A 54 7.019 3.140 4.658 1.00 0.00 C ATOM 780 C ILE A 54 6.572 4.584 4.459 1.00 0.00 C ATOM 781 O ILE A 54 5.721 5.088 5.193 1.00 0.00 O ATOM 782 CB ILE A 54 5.787 2.271 4.969 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.209 0.823 5.228 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.787 2.340 3.824 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.900 0.175 4.049 1.00 0.00 C ATOM 0 H ILE A 54 7.696 2.579 6.561 1.00 0.00 H new ATOM 0 HA ILE A 54 7.487 2.778 3.743 1.00 0.00 H new ATOM 0 HB ILE A 54 5.307 2.656 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.876 0.796 6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.328 0.237 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.922 1.720 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.467 3.372 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.256 1.977 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.171 -0.850 4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.228 0.170 3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.800 0.737 3.801 1.00 0.00 H new ATOM 797 N ASP A 55 7.150 5.245 3.462 1.00 0.00 N ATOM 798 CA ASP A 55 6.809 6.631 3.165 1.00 0.00 C ATOM 799 C ASP A 55 6.333 6.776 1.722 1.00 0.00 C ATOM 800 O ASP A 55 6.296 5.803 0.971 1.00 0.00 O ATOM 801 CB ASP A 55 8.014 7.540 3.411 1.00 0.00 C ATOM 802 CG ASP A 55 7.608 8.943 3.816 1.00 0.00 C ATOM 803 OD1 ASP A 55 7.301 9.754 2.917 1.00 0.00 O ATOM 804 OD2 ASP A 55 7.599 9.231 5.031 1.00 0.00 O ATOM 0 H ASP A 55 7.857 4.843 2.846 1.00 0.00 H new ATOM 0 HA ASP A 55 5.998 6.930 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.639 7.106 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.620 7.587 2.506 1.00 0.00 H new ATOM 809 N GLN A 56 5.968 7.997 1.345 1.00 0.00 N ATOM 810 CA GLN A 56 5.493 8.268 -0.007 1.00 0.00 C ATOM 811 C GLN A 56 6.648 8.664 -0.921 1.00 0.00 C ATOM 812 O GLN A 56 6.745 8.194 -2.055 1.00 0.00 O ATOM 813 CB GLN A 56 4.440 9.377 0.013 1.00 0.00 C ATOM 814 CG GLN A 56 4.308 10.115 -1.310 1.00 0.00 C ATOM 815 CD GLN A 56 4.210 9.175 -2.495 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.744 9.454 -3.569 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.527 8.052 -2.306 1.00 0.00 N ATOM 0 H GLN A 56 5.992 8.814 1.956 1.00 0.00 H new ATOM 0 HA GLN A 56 5.042 7.355 -0.396 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.475 8.945 0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.693 10.093 0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.423 10.750 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.167 10.772 -1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.101 7.861 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.429 7.381 -3.067 1.00 0.00 H new ATOM 915 N CYS A 62 9.343 -1.593 1.095 1.00 0.00 N ATOM 916 CA CYS A 62 9.059 -2.943 1.564 1.00 0.00 C ATOM 917 C CYS A 62 7.630 -3.351 1.217 1.00 0.00 C ATOM 918 O CYS A 62 6.733 -2.511 1.157 1.00 0.00 O ATOM 919 CB CYS A 62 9.275 -3.036 3.076 1.00 0.00 C ATOM 920 SG CYS A 62 9.031 -4.707 3.761 1.00 0.00 S ATOM 0 HA CYS A 62 9.745 -3.626 1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.287 -2.704 3.309 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.591 -2.348 3.573 1.00 0.00 H new ATOM 0 HG CYS A 62 8.840 -4.626 5.044 1.00 0.00 H new ATOM 925 N GLN A 63 7.428 -4.645 0.990 1.00 0.00 N ATOM 926 CA GLN A 63 6.109 -5.163 0.649 1.00 0.00 C ATOM 927 C GLN A 63 5.330 -5.539 1.905 1.00 0.00 C ATOM 928 O GLN A 63 4.210 -5.075 2.115 1.00 0.00 O ATOM 929 CB GLN A 63 6.238 -6.380 -0.269 1.00 0.00 C ATOM 930 CG GLN A 63 6.666 -6.032 -1.685 1.00 0.00 C ATOM 931 CD GLN A 63 7.433 -7.154 -2.356 1.00 0.00 C ATOM 932 OE1 GLN A 63 8.607 -7.002 -2.695 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.773 -8.289 -2.550 1.00 0.00 N ATOM 0 H GLN A 63 8.161 -5.353 1.036 1.00 0.00 H new ATOM 0 HA GLN A 63 5.562 -4.378 0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.961 -7.073 0.160 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.281 -6.900 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.783 -5.795 -2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.286 -5.136 -1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.801 -8.371 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.238 -9.080 -2.996 1.00 0.00 H new ATOM 942 N TYR A 64 5.931 -6.383 2.737 1.00 0.00 N ATOM 943 CA TYR A 64 5.292 -6.824 3.972 1.00 0.00 C ATOM 944 C TYR A 64 4.958 -5.634 4.867 1.00 0.00 C ATOM 945 O TYR A 64 3.795 -5.396 5.194 1.00 0.00 O ATOM 946 CB TYR A 64 6.201 -7.800 4.720 1.00 0.00 C ATOM 947 CG TYR A 64 5.959 -7.829 6.213 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.586 -6.921 7.056 1.00 0.00 C ATOM 949 CD2 TYR A 64 5.103 -8.766 6.779 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.369 -6.944 8.420 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.878 -8.796 8.142 1.00 0.00 C ATOM 952 CZ TYR A 64 5.514 -7.884 8.958 1.00 0.00 C ATOM 953 OH TYR A 64 5.293 -7.910 10.316 1.00 0.00 O ATOM 0 H TYR A 64 6.859 -6.775 2.579 1.00 0.00 H new ATOM 0 HA TYR A 64 4.363 -7.331 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.054 -8.802 4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.241 -7.531 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.255 -6.184 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.605 -9.483 6.143 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.865 -6.231 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.208 -9.529 8.566 1.00 0.00 H new ATOM 0 HH TYR A 64 4.665 -8.631 10.531 1.00 0.00 H new ATOM 963 N CYS A 65 5.986 -4.890 5.259 1.00 0.00 N ATOM 964 CA CYS A 65 5.804 -3.724 6.115 1.00 0.00 C ATOM 965 C CYS A 65 4.661 -2.850 5.609 1.00 0.00 C ATOM 966 O CYS A 65 3.729 -2.537 6.350 1.00 0.00 O ATOM 967 CB CYS A 65 7.096 -2.907 6.181 1.00 0.00 C ATOM 968 SG CYS A 65 8.381 -3.632 7.250 1.00 0.00 S ATOM 0 H CYS A 65 6.955 -5.074 4.997 1.00 0.00 H new ATOM 0 HA CYS A 65 5.553 -4.075 7.116 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.496 -2.798 5.173 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.862 -1.905 6.541 1.00 0.00 H new ATOM 0 HG CYS A 65 9.554 -3.385 6.747 1.00 0.00 H new ATOM 973 N ARG A 66 4.740 -2.459 4.341 1.00 0.00 N ATOM 974 CA ARG A 66 3.713 -1.620 3.735 1.00 0.00 C ATOM 975 C ARG A 66 2.338 -2.269 3.858 1.00 0.00 C ATOM 976 O ARG A 66 1.377 -1.635 4.297 1.00 0.00 O ATOM 977 CB ARG A 66 4.037 -1.364 2.262 1.00 0.00 C ATOM 978 CG ARG A 66 2.885 -0.753 1.482 1.00 0.00 C ATOM 979 CD ARG A 66 3.221 -0.619 0.004 1.00 0.00 C ATOM 980 NE ARG A 66 2.078 -0.155 -0.777 1.00 0.00 N ATOM 981 CZ ARG A 66 2.185 0.383 -1.987 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.376 0.521 -2.552 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.098 0.782 -2.636 1.00 0.00 N ATOM 0 H ARG A 66 5.504 -2.710 3.714 1.00 0.00 H new ATOM 0 HA ARG A 66 3.696 -0.669 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.900 -0.701 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.323 -2.305 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.996 -1.372 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.646 0.228 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.050 0.078 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.556 -1.582 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 66 1.147 -0.249 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.214 0.214 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.455 0.934 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.179 0.676 -2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.181 1.195 -3.565 1.00 0.00 H new ATOM 997 N LEU A 67 2.250 -3.536 3.469 1.00 0.00 N ATOM 998 CA LEU A 67 0.992 -4.272 3.535 1.00 0.00 C ATOM 999 C LEU A 67 0.434 -4.269 4.955 1.00 0.00 C ATOM 1000 O LEU A 67 -0.688 -3.822 5.192 1.00 0.00 O ATOM 1001 CB LEU A 67 1.194 -5.710 3.057 1.00 0.00 C ATOM 1002 CG LEU A 67 0.058 -6.686 3.366 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.301 -7.385 4.694 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.279 -5.960 3.379 1.00 0.00 C ATOM 0 H LEU A 67 3.035 -4.075 3.104 1.00 0.00 H new ATOM 0 HA LEU A 67 0.274 -3.776 2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.350 -5.695 1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.110 -6.096 3.506 1.00 0.00 H new ATOM 0 HG LEU A 67 0.030 -7.442 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.518 -8.075 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.239 -7.938 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.356 -6.643 5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.076 -6.670 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.263 -5.182 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.457 -5.507 2.403 1.00 0.00 H new ATOM 1016 N LYS A 68 1.226 -4.769 5.897 1.00 0.00 N ATOM 1017 CA LYS A 68 0.814 -4.822 7.295 1.00 0.00 C ATOM 1018 C LYS A 68 0.387 -3.443 7.789 1.00 0.00 C ATOM 1019 O LYS A 68 -0.681 -3.288 8.380 1.00 0.00 O ATOM 1020 CB LYS A 68 1.955 -5.356 8.164 1.00 0.00 C ATOM 1021 CG LYS A 68 2.354 -6.784 7.834 1.00 0.00 C ATOM 1022 CD LYS A 68 1.271 -7.772 8.233 1.00 0.00 C ATOM 1023 CE LYS A 68 1.493 -8.305 9.640 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.776 -7.493 10.661 1.00 0.00 N ATOM 0 H LYS A 68 2.158 -5.144 5.718 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.039 -5.496 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.824 -4.708 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.658 -5.303 9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.550 -6.870 6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.282 -7.032 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.296 -7.287 8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.256 -8.602 7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.153 -9.339 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.560 -8.308 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.663 -8.051 11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.324 -6.634 10.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.161 -7.226 10.297 1.00 0.00 H new ATOM 1038 N LYS A 69 1.228 -2.445 7.541 1.00 0.00 N ATOM 1039 CA LYS A 69 0.937 -1.078 7.958 1.00 0.00 C ATOM 1040 C LYS A 69 -0.545 -0.760 7.783 1.00 0.00 C ATOM 1041 O LYS A 69 -1.092 0.093 8.483 1.00 0.00 O ATOM 1042 CB LYS A 69 1.780 -0.087 7.152 1.00 0.00 C ATOM 1043 CG LYS A 69 1.362 1.361 7.341 1.00 0.00 C ATOM 1044 CD LYS A 69 2.558 2.298 7.292 1.00 0.00 C ATOM 1045 CE LYS A 69 3.156 2.510 8.675 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.558 3.005 8.602 1.00 0.00 N ATOM 0 H LYS A 69 2.117 -2.557 7.053 1.00 0.00 H new ATOM 0 HA LYS A 69 1.189 -0.985 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.826 -0.195 7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.712 -0.341 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.649 1.639 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.851 1.471 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.316 1.887 6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.253 3.258 6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.547 3.224 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.130 1.572 9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.930 3.137 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.145 2.312 8.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.580 3.913 8.095 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.187 -1.451 6.849 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.606 -1.242 6.583 1.00 0.00 C ATOM 1062 C CYS A 70 -3.458 -1.769 7.734 1.00 0.00 C ATOM 1063 O CYS A 70 -4.318 -1.060 8.259 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.009 -1.930 5.278 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.081 -1.369 3.831 1.00 0.00 S ATOM 0 H CYS A 70 -0.748 -2.161 6.263 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.778 -0.170 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.872 -3.006 5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.071 -1.760 5.103 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.807 -1.468 4.068 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.214 -3.016 8.120 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.959 -3.639 9.208 1.00 0.00 C ATOM 1073 C LEU A 71 -3.643 -2.967 10.540 1.00 0.00 C ATOM 1074 O LEU A 71 -4.301 -3.223 11.549 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.633 -5.132 9.287 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.792 -5.923 7.988 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.133 -7.288 8.111 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.263 -6.069 7.629 1.00 0.00 C ATOM 0 H LEU A 71 -2.506 -3.616 7.696 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.023 -3.516 9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.605 -5.241 9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.273 -5.584 10.045 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.297 -5.374 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.256 -7.837 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.071 -7.162 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.599 -7.845 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.357 -6.634 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.782 -6.596 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.705 -5.081 7.498 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.632 -2.104 10.537 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.230 -1.392 11.743 1.00 0.00 C ATOM 1092 C LYS A 72 -2.945 -0.048 11.846 1.00 0.00 C ATOM 1093 O LYS A 72 -3.644 0.221 12.823 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.715 -1.176 11.752 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.204 -0.497 13.010 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.339 1.013 12.923 1.00 0.00 C ATOM 1097 CE LYS A 72 0.496 1.710 13.987 1.00 0.00 C ATOM 1098 NZ LYS A 72 1.931 1.797 13.597 1.00 0.00 N ATOM 0 H LYS A 72 -2.076 -1.881 9.711 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.510 -2.000 12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.219 -2.140 11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.437 -0.575 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.759 -0.864 13.873 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.842 -0.761 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.027 1.351 11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.386 1.293 13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.104 2.713 14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.408 1.170 14.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.466 2.278 14.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.312 0.839 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.018 2.335 12.711 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.767 0.791 10.830 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.398 2.105 10.805 1.00 0.00 C ATOM 1114 C VAL A 73 -4.890 2.004 11.101 1.00 0.00 C ATOM 1115 O VAL A 73 -5.473 2.896 11.716 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.202 2.796 9.443 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.730 3.099 9.204 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.765 1.935 8.323 1.00 0.00 C ATOM 0 H VAL A 73 -2.191 0.584 10.014 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.916 2.702 11.580 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.746 3.741 9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.611 3.587 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.362 3.758 9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.161 2.169 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.618 2.439 7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.251 0.974 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.830 1.774 8.488 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.503 0.910 10.660 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.923 0.712 10.887 1.00 0.00 C ATOM 1130 C GLY A 74 -7.582 -0.083 9.778 1.00 0.00 C ATOM 1131 O GLY A 74 -8.548 -0.808 10.015 1.00 0.00 O ATOM 0 H GLY A 74 -5.042 0.157 10.149 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.067 0.195 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.412 1.682 10.975 1.00 0.00 H new ATOM 1135 N MET A 75 -7.061 0.056 8.563 1.00 0.00 N ATOM 1136 CA MET A 75 -7.607 -0.656 7.412 1.00 0.00 C ATOM 1137 C MET A 75 -8.038 -2.067 7.800 1.00 0.00 C ATOM 1138 O MET A 75 -7.245 -2.843 8.333 1.00 0.00 O ATOM 1139 CB MET A 75 -6.573 -0.716 6.286 1.00 0.00 C ATOM 1140 CG MET A 75 -6.027 0.645 5.889 1.00 0.00 C ATOM 1141 SD MET A 75 -5.006 0.577 4.404 1.00 0.00 S ATOM 1142 CE MET A 75 -6.248 0.263 3.153 1.00 0.00 C ATOM 0 H MET A 75 -6.263 0.654 8.350 1.00 0.00 H new ATOM 0 HA MET A 75 -8.484 -0.112 7.061 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.746 -1.353 6.597 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.026 -1.185 5.413 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.858 1.331 5.723 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.438 1.050 6.712 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.778 -0.184 2.277 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.999 -0.420 3.550 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.724 1.202 2.869 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.298 -2.392 7.529 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.833 -3.709 7.851 1.00 0.00 C ATOM 1154 C ARG A 76 -9.966 -4.564 6.594 1.00 0.00 C ATOM 1155 O ARG A 76 -10.315 -4.063 5.525 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.194 -3.576 8.537 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.229 -2.842 7.699 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.244 -2.122 8.573 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.408 -2.957 8.861 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.471 -3.033 8.069 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.517 -2.330 6.946 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.491 -3.815 8.399 1.00 0.00 N ATOM 0 H ARG A 76 -9.967 -1.761 7.087 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.137 -4.200 8.531 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.570 -4.571 8.775 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.065 -3.050 9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.730 -2.122 7.051 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.744 -3.551 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.771 -1.825 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.568 -1.208 8.075 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.404 -3.512 9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.734 -1.729 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.335 -2.390 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.459 -4.358 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.307 -3.873 7.790 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.685 -5.855 6.731 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.772 -6.779 5.606 1.00 0.00 C ATOM 1178 C ARG A 77 -11.227 -7.075 5.256 1.00 0.00 C ATOM 1179 O ARG A 77 -11.576 -7.219 4.085 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.039 -8.082 5.932 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.557 -7.894 6.213 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.858 -9.227 6.429 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.448 -9.172 6.054 1.00 0.00 N ATOM 1184 CZ ARG A 77 -4.615 -10.200 6.172 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.049 -11.357 6.653 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -3.345 -10.073 5.809 1.00 0.00 N ATOM 0 H ARG A 77 -9.395 -6.285 7.609 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.298 -6.309 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.509 -8.546 6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.157 -8.774 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.091 -7.368 5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.429 -7.268 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.944 -9.516 7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.359 -9.998 5.844 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.082 -8.296 5.681 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.024 -11.459 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.407 -12.145 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.007 -9.185 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.707 -10.864 5.900 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.070 -7.164 6.280 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.487 -7.444 6.080 1.00 0.00 C ATOM 1202 C GLU A 78 -14.097 -6.472 5.074 1.00 0.00 C ATOM 1203 O GLU A 78 -15.091 -6.783 4.418 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.240 -7.358 7.409 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.204 -5.977 8.041 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.409 -6.017 9.543 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.576 -5.952 9.984 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -13.403 -6.113 10.277 1.00 0.00 O ATOM 0 H GLU A 78 -11.797 -7.046 7.256 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.578 -8.455 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.278 -7.648 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.813 -8.079 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.246 -5.506 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.976 -5.355 7.589 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.494 -5.293 4.959 1.00 0.00 N ATOM 1216 CA ALA A 79 -13.976 -4.276 4.033 1.00 0.00 C ATOM 1217 C ALA A 79 -13.589 -4.613 2.597 1.00 0.00 C ATOM 1218 O ALA A 79 -14.333 -4.327 1.659 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.432 -2.909 4.421 1.00 0.00 C ATOM 0 H ALA A 79 -12.671 -5.019 5.496 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.064 -4.252 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.800 -2.159 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.763 -2.658 5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.343 -2.929 4.392 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.418 -5.221 2.432 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.932 -5.598 1.110 1.00 0.00 C ATOM 1227 C VAL A 80 -12.679 -6.815 0.576 1.00 0.00 C ATOM 1228 O VAL A 80 -12.094 -7.882 0.394 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.423 -5.904 1.133 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -9.963 -6.425 -0.220 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.634 -4.666 1.534 1.00 0.00 C ATOM 0 H VAL A 80 -11.789 -5.463 3.197 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.112 -4.748 0.452 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.239 -6.680 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.894 -6.636 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.505 -7.339 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.160 -5.674 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.570 -4.901 1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.822 -3.867 0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.945 -4.343 2.528 1.00 0.00 H new