USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 369 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 117 THR OG1 : rot 180:sc= -0.111 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.65 K(o=-1.8,f=-2.3) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.924) USER MOD Single : A 79 CYS SG : rot -13:sc= -1.62! USER MOD Single : A 80 MET CE :methyl 155:sc= -0.183 (180deg=-0.848) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00851 X(o=-0.0085,f=-0.12) USER MOD Single : A 89 CYS SG : rot 180:sc= 0.0377 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.19 K(o=1.2,f=-0.22) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.403 USER MOD Single : A 111 TYR OH : rot -115:sc= 0.42 USER MOD Single : A 113 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.99) USER MOD Single : A 123 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00855) USER MOD ----------------------------------------------------------------- ATOM 111 N TRP A 73 8.445 5.713 -0.899 1.00 0.00 N ATOM 112 CA TRP A 73 7.276 6.090 -0.161 1.00 0.00 C ATOM 113 C TRP A 73 7.665 6.561 1.215 1.00 0.00 C ATOM 114 O TRP A 73 8.707 6.145 1.745 1.00 0.00 O ATOM 115 CB TRP A 73 6.316 4.917 -0.058 1.00 0.00 C ATOM 116 CG TRP A 73 5.651 4.580 -1.343 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.933 3.538 -2.163 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.589 5.308 -1.955 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.103 3.562 -3.257 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.263 4.648 -3.147 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.878 6.457 -1.597 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.254 5.100 -3.989 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.881 6.908 -2.425 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.572 6.230 -3.612 1.00 0.00 C ATOM 0 HA TRP A 73 6.777 6.904 -0.687 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.860 4.043 0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.554 5.146 0.687 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.698 2.798 -1.982 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.108 2.888 -4.023 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.110 6.982 -0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.015 4.581 -4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.328 7.796 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.780 6.605 -4.244 1.00 0.00 H new ATOM 135 N LYS A 74 6.872 7.440 1.783 1.00 0.00 N ATOM 136 CA LYS A 74 7.135 7.919 3.112 1.00 0.00 C ATOM 137 C LYS A 74 5.937 7.713 4.022 1.00 0.00 C ATOM 138 O LYS A 74 4.795 7.584 3.564 1.00 0.00 O ATOM 139 CB LYS A 74 7.527 9.390 3.138 1.00 0.00 C ATOM 140 CG LYS A 74 6.445 10.350 2.657 1.00 0.00 C ATOM 141 CD LYS A 74 6.735 11.777 3.083 1.00 0.00 C ATOM 142 CE LYS A 74 6.674 11.917 4.602 1.00 0.00 C ATOM 143 NZ LYS A 74 6.904 13.293 5.056 1.00 0.00 N ATOM 0 H LYS A 74 6.041 7.835 1.343 1.00 0.00 H new ATOM 0 HA LYS A 74 7.978 7.332 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.805 9.659 4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.414 9.526 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.372 10.302 1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.479 10.040 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.721 12.074 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.013 12.452 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.699 11.581 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.419 11.261 5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.851 13.329 6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.845 13.608 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.179 13.918 4.650 1.00 0.00 H new ATOM 157 N VAL A 75 6.220 7.646 5.299 1.00 0.00 N ATOM 158 CA VAL A 75 5.214 7.538 6.328 1.00 0.00 C ATOM 159 C VAL A 75 4.349 8.797 6.330 1.00 0.00 C ATOM 160 O VAL A 75 4.867 9.905 6.222 1.00 0.00 O ATOM 161 CB VAL A 75 5.876 7.349 7.717 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.841 7.247 8.819 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.753 6.119 7.716 1.00 0.00 C ATOM 0 H VAL A 75 7.174 7.665 5.660 1.00 0.00 H new ATOM 0 HA VAL A 75 4.590 6.669 6.122 1.00 0.00 H new ATOM 0 HB VAL A 75 6.489 8.229 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.342 7.115 9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.245 8.159 8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.190 6.393 8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.212 5.998 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.148 5.241 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.533 6.229 6.962 1.00 0.00 H new ATOM 173 N GLY A 76 3.055 8.618 6.421 1.00 0.00 N ATOM 174 CA GLY A 76 2.161 9.746 6.459 1.00 0.00 C ATOM 175 C GLY A 76 1.778 10.222 5.084 1.00 0.00 C ATOM 176 O GLY A 76 1.430 11.394 4.897 1.00 0.00 O ATOM 0 H GLY A 76 2.600 7.707 6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.261 9.474 7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.634 10.563 7.004 1.00 0.00 H new ATOM 180 N ASP A 77 1.866 9.348 4.111 1.00 0.00 N ATOM 181 CA ASP A 77 1.473 9.702 2.756 1.00 0.00 C ATOM 182 C ASP A 77 0.285 8.901 2.389 1.00 0.00 C ATOM 183 O ASP A 77 0.050 7.821 2.954 1.00 0.00 O ATOM 184 CB ASP A 77 2.537 9.332 1.755 1.00 0.00 C ATOM 185 CG ASP A 77 2.592 10.262 0.536 1.00 0.00 C ATOM 186 OD1 ASP A 77 1.548 10.859 0.135 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.693 10.451 -0.015 1.00 0.00 O ATOM 0 H ASP A 77 2.203 8.392 4.224 1.00 0.00 H new ATOM 0 HA ASP A 77 1.293 10.777 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.508 9.341 2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.362 8.312 1.414 1.00 0.00 H new ATOM 192 N LYS A 78 -0.427 9.378 1.446 1.00 0.00 N ATOM 193 CA LYS A 78 -1.515 8.677 0.917 1.00 0.00 C ATOM 194 C LYS A 78 -1.056 7.948 -0.312 1.00 0.00 C ATOM 195 O LYS A 78 -0.380 8.509 -1.168 1.00 0.00 O ATOM 196 CB LYS A 78 -2.686 9.597 0.585 1.00 0.00 C ATOM 197 CG LYS A 78 -3.522 10.045 1.770 1.00 0.00 C ATOM 198 CD LYS A 78 -4.294 8.876 2.369 1.00 0.00 C ATOM 199 CE LYS A 78 -5.246 9.318 3.476 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.321 10.215 2.978 1.00 0.00 N ATOM 0 H LYS A 78 -0.263 10.287 1.014 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.875 7.972 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.298 10.482 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.337 9.086 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.876 10.485 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.219 10.822 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.861 8.377 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.591 8.145 2.768 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.696 8.438 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.680 9.831 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.152 10.139 3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.980 11.197 2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.585 9.937 2.011 1.00 0.00 H new ATOM 214 N CYS A 79 -1.377 6.728 -0.366 1.00 0.00 N ATOM 215 CA CYS A 79 -1.083 5.895 -1.481 1.00 0.00 C ATOM 216 C CYS A 79 -2.310 5.091 -1.797 1.00 0.00 C ATOM 217 O CYS A 79 -3.324 5.201 -1.110 1.00 0.00 O ATOM 218 CB CYS A 79 0.074 4.959 -1.129 1.00 0.00 C ATOM 219 SG CYS A 79 -0.198 3.975 0.371 1.00 0.00 S ATOM 0 H CYS A 79 -1.871 6.247 0.386 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.796 6.498 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.248 4.284 -1.967 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.980 5.551 -1.003 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.220 4.447 1.020 1.00 0.00 H new ATOM 225 N MET A 80 -2.257 4.338 -2.824 1.00 0.00 N ATOM 226 CA MET A 80 -3.306 3.428 -3.106 1.00 0.00 C ATOM 227 C MET A 80 -2.714 2.082 -2.991 1.00 0.00 C ATOM 228 O MET A 80 -1.674 1.824 -3.565 1.00 0.00 O ATOM 229 CB MET A 80 -3.918 3.623 -4.492 1.00 0.00 C ATOM 230 CG MET A 80 -4.318 5.049 -4.787 1.00 0.00 C ATOM 231 SD MET A 80 -5.368 5.224 -6.237 1.00 0.00 S ATOM 232 CE MET A 80 -6.830 4.342 -5.682 1.00 0.00 C ATOM 0 H MET A 80 -1.489 4.330 -3.496 1.00 0.00 H new ATOM 0 HA MET A 80 -4.127 3.586 -2.407 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.202 3.293 -5.245 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.795 2.983 -4.585 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.840 5.457 -3.921 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.418 5.647 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.703 4.708 -6.223 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.706 3.276 -5.872 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.970 4.506 -4.614 1.00 0.00 H new ATOM 242 N ALA A 81 -3.339 1.249 -2.265 1.00 0.00 N ATOM 243 CA ALA A 81 -2.816 -0.043 -2.009 1.00 0.00 C ATOM 244 C ALA A 81 -3.744 -1.049 -2.558 1.00 0.00 C ATOM 245 O ALA A 81 -4.944 -0.786 -2.688 1.00 0.00 O ATOM 246 CB ALA A 81 -2.664 -0.249 -0.522 1.00 0.00 C ATOM 0 H ALA A 81 -4.238 1.438 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.838 -0.144 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.262 -1.244 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.984 0.501 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.637 -0.153 -0.040 1.00 0.00 H new ATOM 252 N VAL A 82 -3.218 -2.171 -2.901 1.00 0.00 N ATOM 253 CA VAL A 82 -4.020 -3.230 -3.396 1.00 0.00 C ATOM 254 C VAL A 82 -4.497 -4.008 -2.205 1.00 0.00 C ATOM 255 O VAL A 82 -3.695 -4.603 -1.495 1.00 0.00 O ATOM 256 CB VAL A 82 -3.214 -4.150 -4.353 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.069 -5.300 -4.852 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.669 -3.350 -5.528 1.00 0.00 C ATOM 0 H VAL A 82 -2.221 -2.380 -2.846 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.857 -2.833 -3.971 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.377 -4.566 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.480 -5.928 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.412 -5.893 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.931 -4.906 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.107 -4.010 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.497 -2.904 -6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.013 -2.562 -5.159 1.00 0.00 H new ATOM 268 N TRP A 83 -5.789 -3.961 -1.975 1.00 0.00 N ATOM 269 CA TRP A 83 -6.396 -4.621 -0.863 1.00 0.00 C ATOM 270 C TRP A 83 -6.271 -6.093 -1.066 1.00 0.00 C ATOM 271 O TRP A 83 -6.814 -6.630 -2.025 1.00 0.00 O ATOM 272 CB TRP A 83 -7.873 -4.230 -0.750 1.00 0.00 C ATOM 273 CG TRP A 83 -8.518 -4.627 0.554 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.909 -4.728 1.758 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.896 -4.915 0.792 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.797 -5.082 2.721 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.028 -5.199 2.164 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.024 -4.969 -0.010 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.241 -5.530 2.746 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.231 -5.296 0.568 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.326 -5.573 1.936 1.00 0.00 C ATOM 0 H TRP A 83 -6.448 -3.455 -2.567 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.896 -4.325 0.059 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -7.962 -3.151 -0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.423 -4.691 -1.570 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.858 -4.551 1.930 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.575 -5.235 3.705 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.959 -4.759 -1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.318 -5.745 3.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.119 -5.339 -0.045 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.288 -5.827 2.357 1.00 0.00 H new ATOM 292 N SER A 84 -5.580 -6.729 -0.168 1.00 0.00 N ATOM 293 CA SER A 84 -5.301 -8.155 -0.208 1.00 0.00 C ATOM 294 C SER A 84 -6.602 -8.986 -0.272 1.00 0.00 C ATOM 295 O SER A 84 -6.610 -10.121 -0.743 1.00 0.00 O ATOM 296 CB SER A 84 -4.471 -8.521 1.042 1.00 0.00 C ATOM 297 OG SER A 84 -4.064 -9.885 1.061 1.00 0.00 O ATOM 0 H SER A 84 -5.176 -6.264 0.645 1.00 0.00 H new ATOM 0 HA SER A 84 -4.737 -8.389 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.588 -7.884 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.059 -8.311 1.936 1.00 0.00 H new ATOM 0 HG SER A 84 -3.542 -10.059 1.872 1.00 0.00 H new ATOM 303 N GLU A 85 -7.688 -8.400 0.168 1.00 0.00 N ATOM 304 CA GLU A 85 -8.944 -9.094 0.215 1.00 0.00 C ATOM 305 C GLU A 85 -9.689 -9.042 -1.113 1.00 0.00 C ATOM 306 O GLU A 85 -10.318 -10.016 -1.506 1.00 0.00 O ATOM 307 CB GLU A 85 -9.803 -8.512 1.295 1.00 0.00 C ATOM 308 CG GLU A 85 -9.130 -8.455 2.650 1.00 0.00 C ATOM 309 CD GLU A 85 -8.692 -9.809 3.165 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.538 -10.557 3.688 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.500 -10.156 3.044 1.00 0.00 O ATOM 0 H GLU A 85 -7.723 -7.436 0.500 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.727 -10.141 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.101 -7.504 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.715 -9.103 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.261 -7.800 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.816 -8.006 3.369 1.00 0.00 H new ATOM 318 N ASP A 86 -9.632 -7.908 -1.794 1.00 0.00 N ATOM 319 CA ASP A 86 -10.419 -7.753 -3.032 1.00 0.00 C ATOM 320 C ASP A 86 -9.534 -7.819 -4.268 1.00 0.00 C ATOM 321 O ASP A 86 -10.001 -8.099 -5.367 1.00 0.00 O ATOM 322 CB ASP A 86 -11.139 -6.407 -3.001 1.00 0.00 C ATOM 323 CG ASP A 86 -12.248 -6.276 -4.011 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.005 -5.874 -5.146 1.00 0.00 O ATOM 325 OD2 ASP A 86 -13.414 -6.539 -3.644 1.00 0.00 O ATOM 0 H ASP A 86 -9.071 -7.098 -1.531 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.137 -8.571 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.551 -6.251 -2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.411 -5.614 -3.173 1.00 0.00 H new ATOM 330 N GLY A 87 -8.253 -7.596 -4.069 1.00 0.00 N ATOM 331 CA GLY A 87 -7.291 -7.615 -5.165 1.00 0.00 C ATOM 332 C GLY A 87 -7.256 -6.307 -5.956 1.00 0.00 C ATOM 333 O GLY A 87 -6.622 -6.222 -7.008 1.00 0.00 O ATOM 0 H GLY A 87 -7.846 -7.398 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.297 -7.817 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.535 -8.435 -5.841 1.00 0.00 H new ATOM 337 N GLN A 88 -7.940 -5.297 -5.467 1.00 0.00 N ATOM 338 CA GLN A 88 -8.010 -4.006 -6.159 1.00 0.00 C ATOM 339 C GLN A 88 -7.353 -2.907 -5.362 1.00 0.00 C ATOM 340 O GLN A 88 -7.066 -3.091 -4.187 1.00 0.00 O ATOM 341 CB GLN A 88 -9.438 -3.654 -6.507 1.00 0.00 C ATOM 342 CG GLN A 88 -10.046 -4.550 -7.559 1.00 0.00 C ATOM 343 CD GLN A 88 -9.380 -4.434 -8.915 1.00 0.00 C ATOM 344 OE1 GLN A 88 -9.778 -3.630 -9.738 1.00 0.00 O ATOM 345 NE2 GLN A 88 -8.365 -5.223 -9.157 1.00 0.00 N ATOM 0 H GLN A 88 -8.461 -5.334 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.452 -4.104 -7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.046 -3.705 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.473 -2.622 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.986 -5.585 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.104 -4.309 -7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.054 -5.887 -8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.884 -5.174 -10.055 1.00 0.00 H new ATOM 354 N CYS A 89 -7.167 -1.756 -5.970 1.00 0.00 N ATOM 355 CA CYS A 89 -6.476 -0.666 -5.305 1.00 0.00 C ATOM 356 C CYS A 89 -7.432 0.351 -4.695 1.00 0.00 C ATOM 357 O CYS A 89 -8.426 0.749 -5.309 1.00 0.00 O ATOM 358 CB CYS A 89 -5.429 -0.012 -6.215 1.00 0.00 C ATOM 359 SG CYS A 89 -6.030 0.488 -7.838 1.00 0.00 S ATOM 0 H CYS A 89 -7.481 -1.548 -6.918 1.00 0.00 H new ATOM 0 HA CYS A 89 -5.935 -1.107 -4.468 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.027 0.865 -5.708 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.602 -0.709 -6.350 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.059 1.028 -8.513 1.00 0.00 H new ATOM 365 N TYR A 90 -7.135 0.728 -3.470 1.00 0.00 N ATOM 366 CA TYR A 90 -7.940 1.636 -2.664 1.00 0.00 C ATOM 367 C TYR A 90 -7.013 2.604 -1.945 1.00 0.00 C ATOM 368 O TYR A 90 -5.829 2.302 -1.781 1.00 0.00 O ATOM 369 CB TYR A 90 -8.761 0.840 -1.645 1.00 0.00 C ATOM 370 CG TYR A 90 -9.797 -0.093 -2.256 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.445 -1.358 -2.721 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.119 0.293 -2.368 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.375 -2.195 -3.291 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.061 -0.543 -2.926 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.684 -1.784 -3.388 1.00 0.00 C ATOM 376 OH TYR A 90 -12.622 -2.602 -3.989 1.00 0.00 O ATOM 0 H TYR A 90 -6.298 0.402 -2.986 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.626 2.191 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.080 0.252 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.268 1.540 -0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.421 -1.688 -2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.419 1.267 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.080 -3.167 -3.659 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.091 -0.226 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.498 -2.162 -3.974 1.00 0.00 H new ATOM 386 N GLU A 91 -7.528 3.747 -1.528 1.00 0.00 N ATOM 387 CA GLU A 91 -6.708 4.771 -0.886 1.00 0.00 C ATOM 388 C GLU A 91 -6.327 4.349 0.532 1.00 0.00 C ATOM 389 O GLU A 91 -7.183 4.026 1.362 1.00 0.00 O ATOM 390 CB GLU A 91 -7.439 6.120 -0.841 1.00 0.00 C ATOM 391 CG GLU A 91 -6.587 7.255 -0.282 1.00 0.00 C ATOM 392 CD GLU A 91 -7.344 8.545 -0.116 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.642 9.214 -1.123 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.628 8.936 1.036 1.00 0.00 O ATOM 0 H GLU A 91 -8.513 3.994 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.802 4.884 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.764 6.382 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.338 6.017 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.182 6.953 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.739 7.423 -0.945 1.00 0.00 H new ATOM 401 N ALA A 92 -5.054 4.357 0.795 1.00 0.00 N ATOM 402 CA ALA A 92 -4.524 3.971 2.073 1.00 0.00 C ATOM 403 C ALA A 92 -3.384 4.882 2.465 1.00 0.00 C ATOM 404 O ALA A 92 -2.661 5.373 1.614 1.00 0.00 O ATOM 405 CB ALA A 92 -4.042 2.545 2.012 1.00 0.00 C ATOM 0 H ALA A 92 -4.343 4.636 0.119 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.312 4.055 2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.640 2.255 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.874 1.890 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.262 2.457 1.256 1.00 0.00 H new ATOM 411 N GLU A 93 -3.222 5.109 3.726 1.00 0.00 N ATOM 412 CA GLU A 93 -2.159 5.946 4.199 1.00 0.00 C ATOM 413 C GLU A 93 -1.090 5.089 4.836 1.00 0.00 C ATOM 414 O GLU A 93 -1.396 4.138 5.560 1.00 0.00 O ATOM 415 CB GLU A 93 -2.681 7.002 5.165 1.00 0.00 C ATOM 416 CG GLU A 93 -1.623 7.975 5.665 1.00 0.00 C ATOM 417 CD GLU A 93 -2.223 9.110 6.433 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.743 8.888 7.543 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.186 10.255 5.938 1.00 0.00 O ATOM 0 H GLU A 93 -3.818 4.723 4.459 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.721 6.479 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.473 7.567 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.131 6.502 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.913 7.444 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.062 8.368 4.817 1.00 0.00 H new ATOM 426 N ILE A 94 0.132 5.394 4.524 1.00 0.00 N ATOM 427 CA ILE A 94 1.279 4.666 5.028 1.00 0.00 C ATOM 428 C ILE A 94 1.558 5.027 6.482 1.00 0.00 C ATOM 429 O ILE A 94 1.774 6.197 6.818 1.00 0.00 O ATOM 430 CB ILE A 94 2.523 4.963 4.174 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.221 4.624 2.721 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.707 4.144 4.674 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.243 5.115 1.733 1.00 0.00 C ATOM 0 H ILE A 94 0.375 6.166 3.903 1.00 0.00 H new ATOM 0 HA ILE A 94 1.050 3.602 4.970 1.00 0.00 H new ATOM 0 HB ILE A 94 2.778 6.020 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.135 3.542 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.251 5.045 2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.583 4.361 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.915 4.402 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.470 3.082 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.943 4.827 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.315 6.201 1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.213 4.674 1.963 1.00 0.00 H new ATOM 445 N GLU A 95 1.555 4.024 7.314 1.00 0.00 N ATOM 446 CA GLU A 95 1.797 4.165 8.741 1.00 0.00 C ATOM 447 C GLU A 95 3.248 3.850 9.075 1.00 0.00 C ATOM 448 O GLU A 95 3.833 4.451 9.967 1.00 0.00 O ATOM 449 CB GLU A 95 0.901 3.203 9.497 1.00 0.00 C ATOM 450 CG GLU A 95 -0.576 3.475 9.338 1.00 0.00 C ATOM 451 CD GLU A 95 -1.047 4.682 10.108 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.396 4.541 11.302 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.088 5.788 9.547 1.00 0.00 O ATOM 0 H GLU A 95 1.382 3.062 7.023 1.00 0.00 H new ATOM 0 HA GLU A 95 1.582 5.194 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.110 2.188 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.154 3.245 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.800 3.617 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.137 2.601 9.668 1.00 0.00 H new ATOM 460 N GLU A 96 3.822 2.907 8.353 1.00 0.00 N ATOM 461 CA GLU A 96 5.186 2.462 8.607 1.00 0.00 C ATOM 462 C GLU A 96 5.732 1.794 7.345 1.00 0.00 C ATOM 463 O GLU A 96 4.958 1.279 6.551 1.00 0.00 O ATOM 464 CB GLU A 96 5.168 1.476 9.785 1.00 0.00 C ATOM 465 CG GLU A 96 6.522 0.998 10.248 1.00 0.00 C ATOM 466 CD GLU A 96 6.412 0.009 11.371 1.00 0.00 C ATOM 467 OE1 GLU A 96 6.243 -1.203 11.099 1.00 0.00 O ATOM 468 OE2 GLU A 96 6.497 0.409 12.541 1.00 0.00 O ATOM 0 H GLU A 96 3.363 2.428 7.578 1.00 0.00 H new ATOM 0 HA GLU A 96 5.829 3.304 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.661 1.950 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.572 0.608 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.051 0.541 9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.117 1.852 10.573 1.00 0.00 H new ATOM 475 N ILE A 97 7.042 1.835 7.148 1.00 0.00 N ATOM 476 CA ILE A 97 7.680 1.258 5.965 1.00 0.00 C ATOM 477 C ILE A 97 8.832 0.343 6.369 1.00 0.00 C ATOM 478 O ILE A 97 9.670 0.715 7.179 1.00 0.00 O ATOM 479 CB ILE A 97 8.237 2.392 5.076 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.114 3.317 4.688 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.915 1.842 3.817 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.580 4.667 4.343 1.00 0.00 C ATOM 0 H ILE A 97 7.695 2.268 7.801 1.00 0.00 H new ATOM 0 HA ILE A 97 6.935 0.679 5.419 1.00 0.00 H new ATOM 0 HB ILE A 97 8.990 2.935 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.579 2.894 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.403 3.383 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.294 2.669 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.742 1.193 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.192 1.272 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.726 5.288 4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.091 5.106 5.200 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.269 4.610 3.500 1.00 0.00 H new ATOM 494 N ASP A 98 8.853 -0.828 5.810 1.00 0.00 N ATOM 495 CA ASP A 98 9.917 -1.796 6.006 1.00 0.00 C ATOM 496 C ASP A 98 10.711 -1.869 4.725 1.00 0.00 C ATOM 497 O ASP A 98 10.317 -2.546 3.769 1.00 0.00 O ATOM 498 CB ASP A 98 9.351 -3.180 6.323 1.00 0.00 C ATOM 499 CG ASP A 98 10.430 -4.200 6.627 1.00 0.00 C ATOM 500 OD1 ASP A 98 11.025 -4.725 5.696 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.679 -4.506 7.818 1.00 0.00 O ATOM 0 H ASP A 98 8.116 -1.157 5.186 1.00 0.00 H new ATOM 0 HA ASP A 98 10.540 -1.486 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.677 -3.105 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.757 -3.527 5.477 1.00 0.00 H new ATOM 506 N GLU A 99 11.778 -1.124 4.680 1.00 0.00 N ATOM 507 CA GLU A 99 12.651 -1.041 3.512 1.00 0.00 C ATOM 508 C GLU A 99 13.362 -2.365 3.221 1.00 0.00 C ATOM 509 O GLU A 99 13.780 -2.618 2.093 1.00 0.00 O ATOM 510 CB GLU A 99 13.669 0.065 3.719 1.00 0.00 C ATOM 511 CG GLU A 99 13.047 1.441 3.863 1.00 0.00 C ATOM 512 CD GLU A 99 14.057 2.486 4.227 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.857 2.886 3.374 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.086 2.914 5.399 1.00 0.00 O ATOM 0 H GLU A 99 12.083 -0.542 5.460 1.00 0.00 H new ATOM 0 HA GLU A 99 12.027 -0.817 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.256 -0.155 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.360 0.074 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.562 1.718 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.270 1.408 4.627 1.00 0.00 H new ATOM 521 N GLU A 100 13.474 -3.197 4.236 1.00 0.00 N ATOM 522 CA GLU A 100 14.182 -4.454 4.147 1.00 0.00 C ATOM 523 C GLU A 100 13.441 -5.449 3.259 1.00 0.00 C ATOM 524 O GLU A 100 14.047 -6.279 2.584 1.00 0.00 O ATOM 525 CB GLU A 100 14.373 -5.032 5.539 1.00 0.00 C ATOM 526 CG GLU A 100 15.401 -6.154 5.604 1.00 0.00 C ATOM 527 CD GLU A 100 16.823 -5.708 5.275 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.051 -5.013 4.247 1.00 0.00 O ATOM 529 OE2 GLU A 100 17.751 -6.052 6.039 1.00 0.00 O ATOM 0 H GLU A 100 13.071 -3.016 5.155 1.00 0.00 H new ATOM 0 HA GLU A 100 15.156 -4.267 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.678 -4.233 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.416 -5.408 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.389 -6.588 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.108 -6.943 4.911 1.00 0.00 H new ATOM 536 N ASN A 101 12.148 -5.405 3.301 1.00 0.00 N ATOM 537 CA ASN A 101 11.340 -6.242 2.420 1.00 0.00 C ATOM 538 C ASN A 101 10.764 -5.425 1.310 1.00 0.00 C ATOM 539 O ASN A 101 10.252 -5.960 0.329 1.00 0.00 O ATOM 540 CB ASN A 101 10.203 -6.917 3.174 1.00 0.00 C ATOM 541 CG ASN A 101 10.677 -7.867 4.235 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.864 -9.056 3.990 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.917 -7.358 5.392 1.00 0.00 N ATOM 0 H ASN A 101 11.613 -4.805 3.929 1.00 0.00 H new ATOM 0 HA ASN A 101 11.998 -7.011 2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.577 -6.153 3.634 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.577 -7.458 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.275 -7.947 6.144 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.749 -6.366 5.557 1.00 0.00 H new ATOM 550 N GLY A 102 10.846 -4.120 1.462 1.00 0.00 N ATOM 551 CA GLY A 102 10.247 -3.224 0.508 1.00 0.00 C ATOM 552 C GLY A 102 8.747 -3.210 0.689 1.00 0.00 C ATOM 553 O GLY A 102 7.983 -3.039 -0.262 1.00 0.00 O ATOM 0 H GLY A 102 11.322 -3.661 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.647 -2.219 0.639 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.497 -3.537 -0.506 1.00 0.00 H new ATOM 557 N THR A 103 8.320 -3.417 1.916 1.00 0.00 N ATOM 558 CA THR A 103 6.920 -3.456 2.228 1.00 0.00 C ATOM 559 C THR A 103 6.543 -2.302 3.127 1.00 0.00 C ATOM 560 O THR A 103 7.387 -1.752 3.802 1.00 0.00 O ATOM 561 CB THR A 103 6.536 -4.800 2.877 1.00 0.00 C ATOM 562 OG1 THR A 103 7.388 -5.056 4.014 1.00 0.00 O ATOM 563 CG2 THR A 103 6.671 -5.940 1.875 1.00 0.00 C ATOM 0 H THR A 103 8.935 -3.562 2.717 1.00 0.00 H new ATOM 0 HA THR A 103 6.363 -3.361 1.296 1.00 0.00 H new ATOM 0 HB THR A 103 5.498 -4.740 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.139 -5.911 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.395 -6.880 2.354 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.012 -5.758 1.026 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.702 -5.999 1.528 1.00 0.00 H new ATOM 571 N ALA A 104 5.307 -1.937 3.122 1.00 0.00 N ATOM 572 CA ALA A 104 4.836 -0.866 3.937 1.00 0.00 C ATOM 573 C ALA A 104 3.542 -1.247 4.599 1.00 0.00 C ATOM 574 O ALA A 104 2.749 -2.016 4.049 1.00 0.00 O ATOM 575 CB ALA A 104 4.653 0.393 3.112 1.00 0.00 C ATOM 0 H ALA A 104 4.587 -2.376 2.548 1.00 0.00 H new ATOM 0 HA ALA A 104 5.580 -0.667 4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.293 1.198 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.607 0.680 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.927 0.207 2.320 1.00 0.00 H new ATOM 581 N ALA A 105 3.354 -0.741 5.769 1.00 0.00 N ATOM 582 CA ALA A 105 2.161 -0.941 6.517 1.00 0.00 C ATOM 583 C ALA A 105 1.258 0.221 6.238 1.00 0.00 C ATOM 584 O ALA A 105 1.616 1.386 6.504 1.00 0.00 O ATOM 585 CB ALA A 105 2.484 -1.026 7.976 1.00 0.00 C ATOM 0 H ALA A 105 4.045 -0.161 6.245 1.00 0.00 H new ATOM 0 HA ALA A 105 1.672 -1.872 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.566 -1.179 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.162 -1.861 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.959 -0.099 8.298 1.00 0.00 H new ATOM 591 N ILE A 106 0.127 -0.063 5.701 1.00 0.00 N ATOM 592 CA ILE A 106 -0.770 0.952 5.256 1.00 0.00 C ATOM 593 C ILE A 106 -2.129 0.770 5.885 1.00 0.00 C ATOM 594 O ILE A 106 -2.524 -0.343 6.204 1.00 0.00 O ATOM 595 CB ILE A 106 -0.883 0.920 3.699 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.347 -0.457 3.196 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.412 1.317 3.031 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.818 -0.538 2.970 1.00 0.00 C ATOM 0 H ILE A 106 -0.209 -1.015 5.555 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.379 1.922 5.561 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.639 1.656 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.830 -0.689 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.055 -1.218 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.289 1.281 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.681 2.329 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.202 0.627 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.077 -1.536 2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.341 -0.337 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.113 0.200 2.224 1.00 0.00 H new ATOM 610 N THR A 107 -2.816 1.850 6.088 1.00 0.00 N ATOM 611 CA THR A 107 -4.142 1.819 6.622 1.00 0.00 C ATOM 612 C THR A 107 -5.106 2.460 5.625 1.00 0.00 C ATOM 613 O THR A 107 -4.921 3.611 5.227 1.00 0.00 O ATOM 614 CB THR A 107 -4.183 2.543 7.978 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.242 1.909 8.849 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.572 2.482 8.603 1.00 0.00 C ATOM 0 H THR A 107 -2.469 2.788 5.886 1.00 0.00 H new ATOM 0 HA THR A 107 -4.448 0.786 6.785 1.00 0.00 H new ATOM 0 HB THR A 107 -3.933 3.593 7.827 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.361 2.247 9.761 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.564 3.004 9.560 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.292 2.957 7.937 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.855 1.441 8.760 1.00 0.00 H new ATOM 624 N PHE A 108 -6.109 1.705 5.228 1.00 0.00 N ATOM 625 CA PHE A 108 -7.096 2.129 4.258 1.00 0.00 C ATOM 626 C PHE A 108 -7.961 3.225 4.802 1.00 0.00 C ATOM 627 O PHE A 108 -8.568 3.078 5.867 1.00 0.00 O ATOM 628 CB PHE A 108 -7.942 0.952 3.785 1.00 0.00 C ATOM 629 CG PHE A 108 -7.167 -0.029 2.965 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.841 0.282 1.655 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.742 -1.246 3.494 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.114 -0.590 0.877 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.007 -2.121 2.720 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.693 -1.794 1.408 1.00 0.00 C ATOM 0 H PHE A 108 -6.264 0.760 5.578 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.560 2.526 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.362 0.442 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.781 1.326 3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.163 1.225 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.989 -1.505 4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.874 -0.334 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.676 -3.061 3.136 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.120 -2.480 0.803 1.00 0.00 H new ATOM 644 N ALA A 109 -8.037 4.296 4.064 1.00 0.00 N ATOM 645 CA ALA A 109 -8.743 5.472 4.481 1.00 0.00 C ATOM 646 C ALA A 109 -10.229 5.278 4.295 1.00 0.00 C ATOM 647 O ALA A 109 -10.674 4.705 3.303 1.00 0.00 O ATOM 648 CB ALA A 109 -8.249 6.675 3.708 1.00 0.00 C ATOM 0 H ALA A 109 -7.604 4.377 3.144 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.554 5.648 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.791 7.563 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.184 6.813 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.416 6.516 2.643 1.00 0.00 H new ATOM 654 N GLY A 110 -10.982 5.685 5.277 1.00 0.00 N ATOM 655 CA GLY A 110 -12.405 5.556 5.230 1.00 0.00 C ATOM 656 C GLY A 110 -12.846 4.252 5.832 1.00 0.00 C ATOM 657 O GLY A 110 -13.691 4.221 6.723 1.00 0.00 O ATOM 0 H GLY A 110 -10.624 6.115 6.130 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.867 6.384 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.746 5.618 4.196 1.00 0.00 H new ATOM 661 N TYR A 111 -12.255 3.181 5.363 1.00 0.00 N ATOM 662 CA TYR A 111 -12.589 1.867 5.826 1.00 0.00 C ATOM 663 C TYR A 111 -11.943 1.594 7.185 1.00 0.00 C ATOM 664 O TYR A 111 -12.609 1.146 8.118 1.00 0.00 O ATOM 665 CB TYR A 111 -12.122 0.844 4.832 1.00 0.00 C ATOM 666 CG TYR A 111 -12.564 1.075 3.399 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.821 0.689 2.962 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.685 1.615 2.473 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.193 0.842 1.638 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.045 1.782 1.157 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.302 1.392 0.739 1.00 0.00 C ATOM 672 OH TYR A 111 -13.673 1.558 -0.580 1.00 0.00 O ATOM 0 H TYR A 111 -11.528 3.201 4.648 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.672 1.803 5.934 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.033 0.810 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.479 -0.136 5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.521 0.262 3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.697 1.911 2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.175 0.533 1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.349 2.216 0.454 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.114 0.990 -1.151 1.00 0.00 H new ATOM 682 N GLY A 112 -10.651 1.855 7.293 1.00 0.00 N ATOM 683 CA GLY A 112 -9.977 1.694 8.566 1.00 0.00 C ATOM 684 C GLY A 112 -9.211 0.379 8.753 1.00 0.00 C ATOM 685 O GLY A 112 -8.905 0.009 9.892 1.00 0.00 O ATOM 0 H GLY A 112 -10.058 2.174 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.278 2.521 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.718 1.777 9.361 1.00 0.00 H new ATOM 689 N ASN A 113 -8.886 -0.328 7.678 1.00 0.00 N ATOM 690 CA ASN A 113 -8.086 -1.574 7.831 1.00 0.00 C ATOM 691 C ASN A 113 -6.652 -1.288 7.593 1.00 0.00 C ATOM 692 O ASN A 113 -6.321 -0.260 7.037 1.00 0.00 O ATOM 693 CB ASN A 113 -8.475 -2.707 6.881 1.00 0.00 C ATOM 694 CG ASN A 113 -9.795 -3.342 7.162 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.291 -3.338 8.286 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.330 -3.964 6.172 1.00 0.00 N ATOM 0 H ASN A 113 -9.143 -0.088 6.720 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.289 -1.907 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.485 -2.319 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.703 -3.476 6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.200 -4.480 6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.885 -3.941 5.255 1.00 0.00 H new ATOM 703 N ALA A 114 -5.808 -2.203 7.949 1.00 0.00 N ATOM 704 CA ALA A 114 -4.402 -2.032 7.768 1.00 0.00 C ATOM 705 C ALA A 114 -3.798 -3.310 7.288 1.00 0.00 C ATOM 706 O ALA A 114 -4.223 -4.390 7.708 1.00 0.00 O ATOM 707 CB ALA A 114 -3.744 -1.591 9.058 1.00 0.00 C ATOM 0 H ALA A 114 -6.075 -3.091 8.374 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.237 -1.255 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.673 -1.467 8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.174 -0.643 9.380 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.910 -2.345 9.827 1.00 0.00 H new ATOM 713 N GLU A 115 -2.857 -3.210 6.395 1.00 0.00 N ATOM 714 CA GLU A 115 -2.177 -4.364 5.898 1.00 0.00 C ATOM 715 C GLU A 115 -0.750 -4.002 5.552 1.00 0.00 C ATOM 716 O GLU A 115 -0.432 -2.823 5.340 1.00 0.00 O ATOM 717 CB GLU A 115 -2.886 -4.987 4.672 1.00 0.00 C ATOM 718 CG GLU A 115 -2.834 -4.199 3.378 1.00 0.00 C ATOM 719 CD GLU A 115 -3.188 -5.081 2.201 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.392 -5.324 1.948 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.256 -5.593 1.542 1.00 0.00 O ATOM 0 H GLU A 115 -2.542 -2.327 5.993 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.188 -5.118 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.449 -5.969 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.933 -5.147 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.526 -3.358 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.836 -3.782 3.240 1.00 0.00 H new ATOM 728 N VAL A 116 0.102 -4.986 5.535 1.00 0.00 N ATOM 729 CA VAL A 116 1.469 -4.809 5.139 1.00 0.00 C ATOM 730 C VAL A 116 1.557 -5.243 3.697 1.00 0.00 C ATOM 731 O VAL A 116 1.398 -6.425 3.381 1.00 0.00 O ATOM 732 CB VAL A 116 2.443 -5.647 6.012 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.892 -5.417 5.598 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.257 -5.326 7.486 1.00 0.00 C ATOM 0 H VAL A 116 -0.135 -5.943 5.798 1.00 0.00 H new ATOM 0 HA VAL A 116 1.763 -3.767 5.268 1.00 0.00 H new ATOM 0 HB VAL A 116 2.208 -6.699 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.550 -6.017 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.023 -5.707 4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.141 -4.362 5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.949 -5.924 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.455 -4.268 7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.233 -5.556 7.782 1.00 0.00 H new ATOM 744 N THR A 117 1.767 -4.313 2.839 1.00 0.00 N ATOM 745 CA THR A 117 1.760 -4.568 1.427 1.00 0.00 C ATOM 746 C THR A 117 3.052 -4.004 0.806 1.00 0.00 C ATOM 747 O THR A 117 3.579 -2.995 1.289 1.00 0.00 O ATOM 748 CB THR A 117 0.470 -3.974 0.749 1.00 0.00 C ATOM 749 OG1 THR A 117 0.274 -4.522 -0.563 1.00 0.00 O ATOM 750 CG2 THR A 117 0.538 -2.460 0.648 1.00 0.00 C ATOM 0 H THR A 117 1.951 -3.341 3.089 1.00 0.00 H new ATOM 0 HA THR A 117 1.732 -5.643 1.252 1.00 0.00 H new ATOM 0 HB THR A 117 -0.372 -4.249 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.535 -4.137 -0.961 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.370 -2.086 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.629 -2.032 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.403 -2.174 0.050 1.00 0.00 H new ATOM 758 N PRO A 118 3.651 -4.705 -0.172 1.00 0.00 N ATOM 759 CA PRO A 118 4.864 -4.242 -0.840 1.00 0.00 C ATOM 760 C PRO A 118 4.648 -2.895 -1.517 1.00 0.00 C ATOM 761 O PRO A 118 3.544 -2.589 -1.965 1.00 0.00 O ATOM 762 CB PRO A 118 5.142 -5.324 -1.890 1.00 0.00 C ATOM 763 CG PRO A 118 3.843 -6.004 -2.078 1.00 0.00 C ATOM 764 CD PRO A 118 3.165 -5.963 -0.742 1.00 0.00 C ATOM 0 HA PRO A 118 5.688 -4.098 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.500 -4.888 -2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.908 -6.020 -1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.244 -5.500 -2.836 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.984 -7.031 -2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.079 -5.971 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.436 -6.819 -0.124 1.00 0.00 H new ATOM 772 N LEU A 119 5.697 -2.109 -1.587 1.00 0.00 N ATOM 773 CA LEU A 119 5.677 -0.781 -2.208 1.00 0.00 C ATOM 774 C LEU A 119 5.242 -0.856 -3.666 1.00 0.00 C ATOM 775 O LEU A 119 4.708 0.103 -4.206 1.00 0.00 O ATOM 776 CB LEU A 119 7.049 -0.130 -2.098 1.00 0.00 C ATOM 777 CG LEU A 119 7.606 0.006 -0.680 1.00 0.00 C ATOM 778 CD1 LEU A 119 8.995 0.579 -0.704 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.703 0.845 0.202 1.00 0.00 C ATOM 0 H LEU A 119 6.609 -2.368 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 119 4.949 -0.171 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.755 -0.710 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.997 0.863 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 119 7.648 -0.996 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.370 0.666 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.650 -0.078 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.974 1.565 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.134 0.917 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.604 1.844 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.720 0.379 0.264 1.00 0.00 H new ATOM 791 N LEU A 120 5.479 -2.009 -4.293 1.00 0.00 N ATOM 792 CA LEU A 120 5.061 -2.249 -5.676 1.00 0.00 C ATOM 793 C LEU A 120 3.531 -2.216 -5.771 1.00 0.00 C ATOM 794 O LEU A 120 2.959 -1.890 -6.811 1.00 0.00 O ATOM 795 CB LEU A 120 5.618 -3.605 -6.178 1.00 0.00 C ATOM 796 CG LEU A 120 4.852 -4.888 -5.802 1.00 0.00 C ATOM 797 CD1 LEU A 120 3.818 -5.211 -6.870 1.00 0.00 C ATOM 798 CD2 LEU A 120 5.804 -6.053 -5.601 1.00 0.00 C ATOM 0 H LEU A 120 5.962 -2.797 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 120 5.464 -1.462 -6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.678 -3.559 -7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.638 -3.705 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 120 4.336 -4.717 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.282 -6.119 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.112 -4.385 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.318 -5.360 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.236 -6.945 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.357 -6.234 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.504 -5.817 -4.799 1.00 0.00 H new ATOM 810 N ASN A 121 2.884 -2.541 -4.674 1.00 0.00 N ATOM 811 CA ASN A 121 1.439 -2.568 -4.597 1.00 0.00 C ATOM 812 C ASN A 121 0.893 -1.207 -4.249 1.00 0.00 C ATOM 813 O ASN A 121 -0.326 -1.016 -4.187 1.00 0.00 O ATOM 814 CB ASN A 121 0.929 -3.603 -3.576 1.00 0.00 C ATOM 815 CG ASN A 121 0.938 -5.032 -4.052 1.00 0.00 C ATOM 816 OD1 ASN A 121 0.921 -5.316 -5.249 1.00 0.00 O ATOM 817 ND2 ASN A 121 0.862 -5.938 -3.125 1.00 0.00 N ATOM 0 H ASN A 121 3.349 -2.796 -3.803 1.00 0.00 H new ATOM 0 HA ASN A 121 1.081 -2.861 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.540 -3.533 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -0.089 -3.338 -3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 121 0.785 -6.923 -3.379 1.00 0.00 H new ATOM 0 HD22 ASN A 121 0.879 -5.665 -2.142 1.00 0.00 H new ATOM 824 N LEU A 122 1.782 -0.261 -4.009 1.00 0.00 N ATOM 825 CA LEU A 122 1.368 1.065 -3.690 1.00 0.00 C ATOM 826 C LEU A 122 1.443 1.930 -4.911 1.00 0.00 C ATOM 827 O LEU A 122 2.451 1.961 -5.617 1.00 0.00 O ATOM 828 CB LEU A 122 2.237 1.646 -2.585 1.00 0.00 C ATOM 829 CG LEU A 122 2.202 0.913 -1.263 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.062 1.631 -0.245 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.778 0.788 -0.767 1.00 0.00 C ATOM 0 H LEU A 122 2.792 -0.400 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 122 0.337 1.032 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.268 1.673 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.932 2.678 -2.414 1.00 0.00 H new ATOM 0 HG LEU A 122 2.603 -0.090 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.029 1.094 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.091 1.673 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.686 2.644 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.770 0.258 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.351 1.782 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.186 0.234 -1.496 1.00 0.00 H new ATOM 843 N LYS A 123 0.376 2.603 -5.158 1.00 0.00 N ATOM 844 CA LYS A 123 0.239 3.498 -6.270 1.00 0.00 C ATOM 845 C LYS A 123 0.033 4.901 -5.738 1.00 0.00 C ATOM 846 O LYS A 123 -0.321 5.059 -4.567 1.00 0.00 O ATOM 847 CB LYS A 123 -0.964 3.088 -7.113 1.00 0.00 C ATOM 848 CG LYS A 123 -0.992 1.629 -7.488 1.00 0.00 C ATOM 849 CD LYS A 123 -2.216 1.329 -8.303 1.00 0.00 C ATOM 850 CE LYS A 123 -2.335 -0.148 -8.647 1.00 0.00 C ATOM 851 NZ LYS A 123 -1.264 -0.621 -9.548 1.00 0.00 N ATOM 0 H LYS A 123 -0.460 2.549 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 123 1.135 3.462 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.875 3.327 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.974 3.685 -8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.097 1.374 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.985 1.014 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.102 1.644 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.189 1.913 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -2.312 -0.732 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -3.302 -0.329 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -1.427 -1.620 -9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -1.266 -0.052 -10.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.343 -0.524 -9.074 1.00 0.00 H new ATOM 865 N PRO A 124 0.237 5.930 -6.551 1.00 0.00 N ATOM 866 CA PRO A 124 -0.063 7.285 -6.150 1.00 0.00 C ATOM 867 C PRO A 124 -1.571 7.522 -6.210 1.00 0.00 C ATOM 868 O PRO A 124 -2.259 6.988 -7.102 1.00 0.00 O ATOM 869 CB PRO A 124 0.675 8.148 -7.168 1.00 0.00 C ATOM 870 CG PRO A 124 0.828 7.291 -8.380 1.00 0.00 C ATOM 871 CD PRO A 124 0.766 5.855 -7.924 1.00 0.00 C ATOM 0 HA PRO A 124 0.244 7.510 -5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.113 9.054 -7.396 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.646 8.463 -6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.037 7.500 -9.101 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.776 7.495 -8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.117 5.261 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.751 5.388 -7.946 1.00 0.00 H new