USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 389 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 127 TYR OH : rot -148:sc= 1.56 USER MOD Set 1.2: A 136 GLN : amide:sc= -4.14! C(o=-2.6!,f=-11!) USER MOD Single : A 93 LYS NZ :NH3+ 135:sc= 0.676 (180deg=0.159) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot -11:sc= 0.965 USER MOD Single : A 99 SER OG : rot 111:sc= 1.26 USER MOD Single : A 103 SER OG : rot 113:sc= 1.21 USER MOD Single : A 107 CYS SG : rot 122:sc= 1.26 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.211 USER MOD Single : A 119 LYS NZ :NH3+ 158:sc= -0.0766 (180deg=-0.475) USER MOD Single : A 122 THR OG1 : rot 121:sc= 0.817 USER MOD Single : A 123 CYS SG : rot -14:sc= -5.92! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00883 USER MOD Single : A 130 TYR OH : rot -127:sc= 0.0654 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 139 SER OG : rot 134:sc= 1.18 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.816 3.548 -3.630 1.00 0.00 N ATOM 116 CA TRP A 92 -7.724 3.306 -4.534 1.00 0.00 C ATOM 117 C TRP A 92 -8.164 2.515 -5.735 1.00 0.00 C ATOM 118 O TRP A 92 -9.245 1.902 -5.728 1.00 0.00 O ATOM 119 CB TRP A 92 -6.652 2.524 -3.812 1.00 0.00 C ATOM 120 CG TRP A 92 -6.143 3.192 -2.584 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.582 3.002 -1.311 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.096 4.148 -2.510 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.872 3.779 -0.452 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.949 4.501 -1.163 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.265 4.738 -3.456 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.005 5.424 -0.736 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.330 5.643 -3.039 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.203 5.981 -1.688 1.00 0.00 C ATOM 0 HA TRP A 92 -7.347 4.271 -4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.049 1.545 -3.543 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.818 2.354 -4.494 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.379 2.331 -1.025 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.004 3.819 0.559 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.357 4.485 -4.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.909 5.690 0.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.678 6.105 -3.765 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.453 6.699 -1.392 1.00 0.00 H new ATOM 139 N LYS A 93 -7.345 2.544 -6.757 1.00 0.00 N ATOM 140 CA LYS A 93 -7.531 1.745 -7.942 1.00 0.00 C ATOM 141 C LYS A 93 -6.206 1.023 -8.194 1.00 0.00 C ATOM 142 O LYS A 93 -5.154 1.464 -7.702 1.00 0.00 O ATOM 143 CB LYS A 93 -7.909 2.633 -9.158 1.00 0.00 C ATOM 144 CG LYS A 93 -6.756 3.448 -9.745 1.00 0.00 C ATOM 145 CD LYS A 93 -7.225 4.486 -10.756 1.00 0.00 C ATOM 146 CE LYS A 93 -8.039 5.589 -10.088 1.00 0.00 C ATOM 147 NZ LYS A 93 -7.254 6.331 -9.075 1.00 0.00 N ATOM 0 H LYS A 93 -6.514 3.135 -6.789 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.347 1.035 -7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.319 1.995 -9.941 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.702 3.318 -8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.222 3.949 -8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.047 2.773 -10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.362 4.923 -11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.828 4.001 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.397 6.284 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.919 5.153 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.414 7.352 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.553 6.040 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.243 6.123 -9.199 1.00 0.00 H new ATOM 161 N VAL A 94 -6.250 -0.089 -8.885 1.00 0.00 N ATOM 162 CA VAL A 94 -5.041 -0.802 -9.234 1.00 0.00 C ATOM 163 C VAL A 94 -4.222 0.102 -10.146 1.00 0.00 C ATOM 164 O VAL A 94 -4.742 0.613 -11.151 1.00 0.00 O ATOM 165 CB VAL A 94 -5.372 -2.121 -9.978 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.102 -2.856 -10.373 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.250 -3.011 -9.113 1.00 0.00 C ATOM 0 H VAL A 94 -7.111 -0.523 -9.219 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.488 -1.056 -8.330 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.916 -1.869 -10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.362 -3.778 -10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.505 -2.224 -11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.526 -3.094 -9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.474 -3.933 -9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.727 -3.248 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.180 -2.491 -8.882 1.00 0.00 H new ATOM 177 N GLY A 95 -2.978 0.307 -9.798 1.00 0.00 N ATOM 178 CA GLY A 95 -2.150 1.191 -10.563 1.00 0.00 C ATOM 179 C GLY A 95 -2.022 2.564 -9.933 1.00 0.00 C ATOM 180 O GLY A 95 -1.595 3.518 -10.590 1.00 0.00 O ATOM 0 H GLY A 95 -2.522 -0.125 -8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.158 0.751 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.564 1.293 -11.566 1.00 0.00 H new ATOM 184 N ASP A 96 -2.403 2.686 -8.679 1.00 0.00 N ATOM 185 CA ASP A 96 -2.216 3.942 -7.961 1.00 0.00 C ATOM 186 C ASP A 96 -0.950 3.856 -7.175 1.00 0.00 C ATOM 187 O ASP A 96 -0.603 2.779 -6.658 1.00 0.00 O ATOM 188 CB ASP A 96 -3.371 4.318 -6.982 1.00 0.00 C ATOM 189 CG ASP A 96 -4.596 4.969 -7.600 1.00 0.00 C ATOM 190 OD1 ASP A 96 -4.464 5.766 -8.545 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.730 4.720 -7.125 1.00 0.00 O ATOM 0 H ASP A 96 -2.840 1.943 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.193 4.722 -8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.689 3.412 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.971 4.993 -6.225 1.00 0.00 H new ATOM 196 N LYS A 97 -0.229 4.937 -7.129 1.00 0.00 N ATOM 197 CA LYS A 97 0.935 5.022 -6.304 1.00 0.00 C ATOM 198 C LYS A 97 0.479 5.349 -4.913 1.00 0.00 C ATOM 199 O LYS A 97 -0.485 6.102 -4.744 1.00 0.00 O ATOM 200 CB LYS A 97 1.877 6.113 -6.781 1.00 0.00 C ATOM 201 CG LYS A 97 2.303 5.972 -8.221 1.00 0.00 C ATOM 202 CD LYS A 97 3.580 6.747 -8.483 1.00 0.00 C ATOM 203 CE LYS A 97 3.418 8.253 -8.272 1.00 0.00 C ATOM 204 NZ LYS A 97 4.664 8.994 -8.570 1.00 0.00 N ATOM 0 H LYS A 97 -0.432 5.782 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 97 1.473 4.075 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.392 7.080 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.765 6.114 -6.149 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.456 4.919 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.511 6.335 -8.876 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.365 6.376 -7.825 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.908 6.562 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.615 8.624 -8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.121 8.444 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.509 10.010 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.425 8.660 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 4.935 8.833 -9.561 1.00 0.00 H new ATOM 218 N CYS A 98 1.124 4.807 -3.943 1.00 0.00 N ATOM 219 CA CYS A 98 0.761 5.055 -2.576 1.00 0.00 C ATOM 220 C CYS A 98 1.968 4.833 -1.694 1.00 0.00 C ATOM 221 O CYS A 98 3.101 4.685 -2.189 1.00 0.00 O ATOM 222 CB CYS A 98 -0.391 4.115 -2.163 1.00 0.00 C ATOM 223 SG CYS A 98 -0.009 2.364 -2.294 1.00 0.00 S ATOM 0 H CYS A 98 1.918 4.179 -4.064 1.00 0.00 H new ATOM 0 HA CYS A 98 0.423 6.085 -2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.672 4.336 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.260 4.332 -2.784 1.00 0.00 H new ATOM 0 HG CYS A 98 1.110 2.211 -2.938 1.00 0.00 H new ATOM 229 N SER A 99 1.754 4.832 -0.432 1.00 0.00 N ATOM 230 CA SER A 99 2.773 4.527 0.491 1.00 0.00 C ATOM 231 C SER A 99 2.198 3.521 1.436 1.00 0.00 C ATOM 232 O SER A 99 1.004 3.594 1.783 1.00 0.00 O ATOM 233 CB SER A 99 3.213 5.752 1.241 1.00 0.00 C ATOM 234 OG SER A 99 3.392 6.859 0.360 1.00 0.00 O ATOM 0 H SER A 99 0.852 5.047 -0.007 1.00 0.00 H new ATOM 0 HA SER A 99 3.653 4.139 -0.023 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.471 6.003 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.147 5.546 1.764 1.00 0.00 H new ATOM 0 HG SER A 99 2.696 7.528 0.530 1.00 0.00 H new ATOM 240 N ALA A 100 2.990 2.604 1.838 1.00 0.00 N ATOM 241 CA ALA A 100 2.531 1.537 2.659 1.00 0.00 C ATOM 242 C ALA A 100 3.491 1.309 3.795 1.00 0.00 C ATOM 243 O ALA A 100 4.646 1.767 3.742 1.00 0.00 O ATOM 244 CB ALA A 100 2.355 0.288 1.818 1.00 0.00 C ATOM 0 H ALA A 100 3.983 2.566 1.609 1.00 0.00 H new ATOM 0 HA ALA A 100 1.564 1.795 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.003 -0.529 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.625 0.479 1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.310 0.014 1.369 1.00 0.00 H new ATOM 250 N ILE A 101 3.018 0.653 4.828 1.00 0.00 N ATOM 251 CA ILE A 101 3.845 0.352 5.980 1.00 0.00 C ATOM 252 C ILE A 101 4.466 -1.013 5.786 1.00 0.00 C ATOM 253 O ILE A 101 3.743 -2.005 5.633 1.00 0.00 O ATOM 254 CB ILE A 101 3.012 0.359 7.308 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.640 1.783 7.722 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.753 -0.349 8.454 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.814 2.583 8.241 1.00 0.00 C ATOM 0 H ILE A 101 2.058 0.314 4.897 1.00 0.00 H new ATOM 0 HA ILE A 101 4.614 1.120 6.064 1.00 0.00 H new ATOM 0 HB ILE A 101 2.096 -0.196 7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.207 2.301 6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.870 1.740 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.141 -0.321 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.945 -1.386 8.178 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.700 0.157 8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.479 3.583 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.234 2.087 9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.576 2.656 7.465 1.00 0.00 H new ATOM 269 N TRP A 102 5.782 -1.064 5.772 1.00 0.00 N ATOM 270 CA TRP A 102 6.484 -2.308 5.612 1.00 0.00 C ATOM 271 C TRP A 102 6.256 -3.171 6.821 1.00 0.00 C ATOM 272 O TRP A 102 6.526 -2.746 7.920 1.00 0.00 O ATOM 273 CB TRP A 102 7.979 -2.060 5.441 1.00 0.00 C ATOM 274 CG TRP A 102 8.719 -3.261 4.949 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.200 -4.277 4.221 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.106 -3.552 5.099 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.151 -5.182 3.918 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.338 -4.768 4.432 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.174 -2.915 5.724 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.583 -5.356 4.371 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.419 -3.504 5.662 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.609 -4.715 4.986 1.00 0.00 C ATOM 0 H TRP A 102 6.386 -0.248 5.871 1.00 0.00 H new ATOM 0 HA TRP A 102 6.107 -2.811 4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.127 -1.237 4.741 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.401 -1.746 6.396 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.165 -4.352 3.923 1.00 0.00 H new ATOM 0 HE1 TRP A 102 9.003 -6.041 3.388 1.00 0.00 H new ATOM 0 HE3 TRP A 102 11.031 -1.980 6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.736 -6.291 3.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.259 -3.024 6.142 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.597 -5.150 4.953 1.00 0.00 H new ATOM 293 N SER A 103 5.798 -4.382 6.613 1.00 0.00 N ATOM 294 CA SER A 103 5.544 -5.312 7.695 1.00 0.00 C ATOM 295 C SER A 103 6.777 -5.605 8.530 1.00 0.00 C ATOM 296 O SER A 103 6.675 -5.905 9.715 1.00 0.00 O ATOM 297 CB SER A 103 5.001 -6.612 7.133 1.00 0.00 C ATOM 298 OG SER A 103 3.600 -6.553 6.917 1.00 0.00 O ATOM 0 H SER A 103 5.589 -4.755 5.687 1.00 0.00 H new ATOM 0 HA SER A 103 4.814 -4.839 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.504 -6.839 6.193 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.228 -7.427 7.820 1.00 0.00 H new ATOM 0 HG SER A 103 3.415 -6.594 5.955 1.00 0.00 H new ATOM 304 N GLU A 104 7.924 -5.486 7.932 1.00 0.00 N ATOM 305 CA GLU A 104 9.130 -5.872 8.600 1.00 0.00 C ATOM 306 C GLU A 104 9.692 -4.769 9.476 1.00 0.00 C ATOM 307 O GLU A 104 10.128 -5.016 10.600 1.00 0.00 O ATOM 308 CB GLU A 104 10.152 -6.344 7.605 1.00 0.00 C ATOM 309 CG GLU A 104 9.638 -7.439 6.699 1.00 0.00 C ATOM 310 CD GLU A 104 9.163 -8.674 7.443 1.00 0.00 C ATOM 311 OE1 GLU A 104 9.996 -9.502 7.852 1.00 0.00 O ATOM 312 OE2 GLU A 104 7.939 -8.834 7.641 1.00 0.00 O ATOM 0 H GLU A 104 8.050 -5.126 6.986 1.00 0.00 H new ATOM 0 HA GLU A 104 8.878 -6.697 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.475 -5.499 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.030 -6.706 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.815 -7.047 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.428 -7.725 6.005 1.00 0.00 H new ATOM 319 N ASP A 105 9.671 -3.552 8.987 1.00 0.00 N ATOM 320 CA ASP A 105 10.289 -2.476 9.757 1.00 0.00 C ATOM 321 C ASP A 105 9.251 -1.525 10.302 1.00 0.00 C ATOM 322 O ASP A 105 9.517 -0.730 11.196 1.00 0.00 O ATOM 323 CB ASP A 105 11.308 -1.727 8.919 1.00 0.00 C ATOM 324 CG ASP A 105 12.233 -0.888 9.763 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.019 -1.454 10.547 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.198 0.330 9.654 1.00 0.00 O ATOM 0 H ASP A 105 9.253 -3.279 8.097 1.00 0.00 H new ATOM 0 HA ASP A 105 10.805 -2.931 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.894 -2.440 8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.789 -1.087 8.205 1.00 0.00 H new ATOM 331 N GLY A 106 8.070 -1.602 9.750 1.00 0.00 N ATOM 332 CA GLY A 106 6.971 -0.774 10.208 1.00 0.00 C ATOM 333 C GLY A 106 7.011 0.624 9.646 1.00 0.00 C ATOM 334 O GLY A 106 6.209 1.468 10.032 1.00 0.00 O ATOM 0 H GLY A 106 7.837 -2.229 8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.028 -1.245 9.929 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.992 -0.722 11.297 1.00 0.00 H new ATOM 338 N CYS A 107 7.941 0.873 8.744 1.00 0.00 N ATOM 339 CA CYS A 107 8.102 2.189 8.179 1.00 0.00 C ATOM 340 C CYS A 107 7.317 2.399 6.888 1.00 0.00 C ATOM 341 O CYS A 107 6.931 1.430 6.219 1.00 0.00 O ATOM 342 CB CYS A 107 9.565 2.496 7.977 1.00 0.00 C ATOM 343 SG CYS A 107 10.494 2.651 9.498 1.00 0.00 S ATOM 0 H CYS A 107 8.596 0.176 8.389 1.00 0.00 H new ATOM 0 HA CYS A 107 7.681 2.890 8.900 1.00 0.00 H new ATOM 0 HB2 CYS A 107 10.010 1.708 7.370 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.656 3.423 7.412 1.00 0.00 H new ATOM 0 HG CYS A 107 11.469 1.791 9.501 1.00 0.00 H new ATOM 349 N ILE A 108 7.101 3.669 6.552 1.00 0.00 N ATOM 350 CA ILE A 108 6.436 4.072 5.315 1.00 0.00 C ATOM 351 C ILE A 108 7.414 3.973 4.165 1.00 0.00 C ATOM 352 O ILE A 108 8.534 4.519 4.235 1.00 0.00 O ATOM 353 CB ILE A 108 5.954 5.555 5.351 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.991 5.822 6.495 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.292 5.917 4.030 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.622 5.230 6.302 1.00 0.00 C ATOM 0 H ILE A 108 7.386 4.455 7.137 1.00 0.00 H new ATOM 0 HA ILE A 108 5.577 3.411 5.196 1.00 0.00 H new ATOM 0 HB ILE A 108 6.835 6.177 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.419 5.425 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.893 6.899 6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.958 6.954 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.008 5.792 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.435 5.265 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.998 5.467 7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.170 5.645 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.705 4.148 6.201 1.00 0.00 H new ATOM 368 N TYR A 109 7.013 3.302 3.143 1.00 0.00 N ATOM 369 CA TYR A 109 7.784 3.195 1.925 1.00 0.00 C ATOM 370 C TYR A 109 6.875 3.375 0.730 1.00 0.00 C ATOM 371 O TYR A 109 5.670 3.088 0.823 1.00 0.00 O ATOM 372 CB TYR A 109 8.513 1.859 1.834 1.00 0.00 C ATOM 373 CG TYR A 109 9.650 1.700 2.808 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.914 2.184 2.509 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.467 1.043 4.010 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.960 2.021 3.386 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.499 0.868 4.889 1.00 0.00 C ATOM 378 CZ TYR A 109 11.754 1.361 4.574 1.00 0.00 C ATOM 379 OH TYR A 109 12.801 1.191 5.444 1.00 0.00 O ATOM 0 H TYR A 109 6.126 2.798 3.116 1.00 0.00 H new ATOM 0 HA TYR A 109 8.539 3.981 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.795 1.056 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.899 1.738 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.080 2.697 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.489 0.660 4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.938 2.409 3.143 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.337 0.349 5.822 1.00 0.00 H new ATOM 0 HH TYR A 109 12.492 0.706 6.238 1.00 0.00 H new ATOM 389 N PRO A 110 7.411 3.887 -0.390 1.00 0.00 N ATOM 390 CA PRO A 110 6.637 4.080 -1.608 1.00 0.00 C ATOM 391 C PRO A 110 6.283 2.742 -2.241 1.00 0.00 C ATOM 392 O PRO A 110 7.152 1.888 -2.459 1.00 0.00 O ATOM 393 CB PRO A 110 7.584 4.870 -2.521 1.00 0.00 C ATOM 394 CG PRO A 110 8.950 4.546 -2.029 1.00 0.00 C ATOM 395 CD PRO A 110 8.819 4.308 -0.558 1.00 0.00 C ATOM 0 HA PRO A 110 5.692 4.593 -1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.461 4.579 -3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.387 5.940 -2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.346 3.664 -2.532 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.641 5.365 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.510 3.538 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.037 5.210 0.014 1.00 0.00 H new ATOM 403 N ALA A 111 5.033 2.548 -2.518 1.00 0.00 N ATOM 404 CA ALA A 111 4.582 1.332 -3.104 1.00 0.00 C ATOM 405 C ALA A 111 3.448 1.600 -4.053 1.00 0.00 C ATOM 406 O ALA A 111 2.683 2.534 -3.867 1.00 0.00 O ATOM 407 CB ALA A 111 4.156 0.356 -2.034 1.00 0.00 C ATOM 0 H ALA A 111 4.297 3.232 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 111 5.406 0.890 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.814 -0.568 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.001 0.142 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.345 0.789 -1.449 1.00 0.00 H new ATOM 413 N THR A 112 3.330 0.799 -5.044 1.00 0.00 N ATOM 414 CA THR A 112 2.293 0.973 -6.012 1.00 0.00 C ATOM 415 C THR A 112 1.336 -0.188 -5.858 1.00 0.00 C ATOM 416 O THR A 112 1.751 -1.290 -5.496 1.00 0.00 O ATOM 417 CB THR A 112 2.909 0.955 -7.419 1.00 0.00 C ATOM 418 OG1 THR A 112 4.200 1.595 -7.369 1.00 0.00 O ATOM 419 CG2 THR A 112 2.028 1.706 -8.406 1.00 0.00 C ATOM 0 H THR A 112 3.944 0.003 -5.215 1.00 0.00 H new ATOM 0 HA THR A 112 1.774 1.920 -5.868 1.00 0.00 H new ATOM 0 HB THR A 112 3.001 -0.080 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.604 1.588 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.485 1.679 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.045 1.236 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.921 2.742 -8.083 1.00 0.00 H new ATOM 427 N ILE A 113 0.089 0.047 -6.115 1.00 0.00 N ATOM 428 CA ILE A 113 -0.917 -0.967 -5.961 1.00 0.00 C ATOM 429 C ILE A 113 -0.945 -1.880 -7.164 1.00 0.00 C ATOM 430 O ILE A 113 -1.222 -1.440 -8.289 1.00 0.00 O ATOM 431 CB ILE A 113 -2.286 -0.331 -5.764 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.228 0.610 -4.573 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.334 -1.407 -5.543 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.459 1.423 -4.397 1.00 0.00 C ATOM 0 H ILE A 113 -0.266 0.947 -6.438 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.669 -1.558 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.561 0.233 -6.655 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.055 0.027 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.375 1.278 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.310 -0.941 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.367 -2.066 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.078 -1.987 -4.656 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.346 2.071 -3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.622 2.033 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.313 0.762 -4.248 1.00 0.00 H new ATOM 446 N ALA A 114 -0.687 -3.135 -6.924 1.00 0.00 N ATOM 447 CA ALA A 114 -0.622 -4.124 -7.966 1.00 0.00 C ATOM 448 C ALA A 114 -1.953 -4.825 -8.135 1.00 0.00 C ATOM 449 O ALA A 114 -2.272 -5.289 -9.230 1.00 0.00 O ATOM 450 CB ALA A 114 0.470 -5.136 -7.670 1.00 0.00 C ATOM 0 H ALA A 114 -0.514 -3.505 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.385 -3.613 -8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.505 -5.877 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.431 -4.626 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.259 -5.633 -6.723 1.00 0.00 H new ATOM 456 N SER A 115 -2.724 -4.917 -7.057 1.00 0.00 N ATOM 457 CA SER A 115 -4.030 -5.582 -7.080 1.00 0.00 C ATOM 458 C SER A 115 -4.838 -5.128 -5.872 1.00 0.00 C ATOM 459 O SER A 115 -4.253 -4.842 -4.843 1.00 0.00 O ATOM 460 CB SER A 115 -3.854 -7.109 -7.002 1.00 0.00 C ATOM 461 OG SER A 115 -3.024 -7.606 -8.048 1.00 0.00 O ATOM 0 H SER A 115 -2.467 -4.537 -6.146 1.00 0.00 H new ATOM 0 HA SER A 115 -4.542 -5.323 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.420 -7.375 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.831 -7.589 -7.055 1.00 0.00 H new ATOM 0 HG SER A 115 -2.936 -8.578 -7.962 1.00 0.00 H new ATOM 467 N ILE A 116 -6.152 -5.026 -6.011 1.00 0.00 N ATOM 468 CA ILE A 116 -7.035 -4.678 -4.913 1.00 0.00 C ATOM 469 C ILE A 116 -8.169 -5.683 -4.802 1.00 0.00 C ATOM 470 O ILE A 116 -8.770 -6.073 -5.810 1.00 0.00 O ATOM 471 CB ILE A 116 -7.676 -3.291 -5.131 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.627 -2.207 -5.200 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.695 -2.978 -4.036 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.183 -0.893 -5.595 1.00 0.00 C ATOM 0 H ILE A 116 -6.636 -5.184 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.428 -4.675 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.198 -3.319 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.143 -2.114 -4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.856 -2.499 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.131 -1.995 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.483 -3.731 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.199 -2.984 -3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.382 -0.154 -5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.643 -0.974 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -7.934 -0.583 -4.869 1.00 0.00 H new ATOM 486 N ASP A 117 -8.454 -6.086 -3.601 1.00 0.00 N ATOM 487 CA ASP A 117 -9.603 -6.896 -3.317 1.00 0.00 C ATOM 488 C ASP A 117 -10.524 -6.035 -2.501 1.00 0.00 C ATOM 489 O ASP A 117 -10.273 -5.790 -1.315 1.00 0.00 O ATOM 490 CB ASP A 117 -9.257 -8.166 -2.549 1.00 0.00 C ATOM 491 CG ASP A 117 -10.423 -9.123 -2.508 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.305 -8.974 -1.658 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.473 -10.044 -3.349 1.00 0.00 O ATOM 0 H ASP A 117 -7.891 -5.860 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.058 -7.230 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.401 -8.653 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.961 -7.908 -1.532 1.00 0.00 H new ATOM 498 N PHE A 118 -11.541 -5.528 -3.130 1.00 0.00 N ATOM 499 CA PHE A 118 -12.458 -4.612 -2.493 1.00 0.00 C ATOM 500 C PHE A 118 -13.261 -5.309 -1.413 1.00 0.00 C ATOM 501 O PHE A 118 -13.680 -4.677 -0.444 1.00 0.00 O ATOM 502 CB PHE A 118 -13.384 -3.958 -3.517 1.00 0.00 C ATOM 503 CG PHE A 118 -12.666 -3.137 -4.569 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.165 -1.877 -4.267 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.512 -3.618 -5.859 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.525 -1.118 -5.232 1.00 0.00 C ATOM 507 CE2 PHE A 118 -11.870 -2.864 -6.826 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.376 -1.613 -6.511 1.00 0.00 C ATOM 0 H PHE A 118 -11.765 -5.734 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.867 -3.826 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.965 -4.735 -4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.092 -3.316 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.276 -1.485 -3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.898 -4.594 -6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.143 -0.139 -4.984 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.755 -3.254 -7.827 1.00 0.00 H new ATOM 0 HZ PHE A 118 -10.874 -1.024 -7.264 1.00 0.00 H new ATOM 518 N LYS A 119 -13.433 -6.617 -1.554 1.00 0.00 N ATOM 519 CA LYS A 119 -14.177 -7.393 -0.585 1.00 0.00 C ATOM 520 C LYS A 119 -13.419 -7.512 0.726 1.00 0.00 C ATOM 521 O LYS A 119 -14.012 -7.425 1.801 1.00 0.00 O ATOM 522 CB LYS A 119 -14.482 -8.774 -1.125 1.00 0.00 C ATOM 523 CG LYS A 119 -15.410 -8.808 -2.316 1.00 0.00 C ATOM 524 CD LYS A 119 -16.796 -8.298 -1.959 1.00 0.00 C ATOM 525 CE LYS A 119 -17.794 -8.597 -3.061 1.00 0.00 C ATOM 526 NZ LYS A 119 -18.005 -10.052 -3.221 1.00 0.00 N ATOM 0 H LYS A 119 -13.064 -7.159 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.114 -6.869 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.543 -9.254 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.921 -9.371 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.994 -8.201 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.483 -9.828 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -17.128 -8.761 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.756 -7.223 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -18.744 -8.113 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.438 -8.174 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.920 -10.221 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.242 -10.451 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.002 -10.508 -2.286 1.00 0.00 H new ATOM 540 N ARG A 120 -12.113 -7.708 0.646 1.00 0.00 N ATOM 541 CA ARG A 120 -11.294 -7.792 1.860 1.00 0.00 C ATOM 542 C ARG A 120 -10.888 -6.401 2.310 1.00 0.00 C ATOM 543 O ARG A 120 -10.346 -6.233 3.406 1.00 0.00 O ATOM 544 CB ARG A 120 -9.980 -8.520 1.602 1.00 0.00 C ATOM 545 CG ARG A 120 -10.027 -9.936 1.086 1.00 0.00 C ATOM 546 CD ARG A 120 -8.598 -10.414 0.887 1.00 0.00 C ATOM 547 NE ARG A 120 -8.494 -11.751 0.304 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.346 -12.286 -0.169 1.00 0.00 C ATOM 549 NH1 ARG A 120 -6.200 -11.602 -0.104 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.345 -13.499 -0.706 1.00 0.00 N ATOM 0 H ARG A 120 -11.597 -7.811 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.898 -8.317 2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.408 -7.927 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.417 -8.527 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.549 -10.581 1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.578 -9.981 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.075 -9.706 0.243 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.086 -10.408 1.849 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.342 -12.316 0.251 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.186 -10.668 0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.339 -12.014 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.213 -14.032 -0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.477 -13.899 -1.062 1.00 0.00 H new ATOM 564 N GLU A 121 -11.170 -5.411 1.463 1.00 0.00 N ATOM 565 CA GLU A 121 -10.731 -4.029 1.647 1.00 0.00 C ATOM 566 C GLU A 121 -9.173 -3.988 1.678 1.00 0.00 C ATOM 567 O GLU A 121 -8.549 -3.088 2.249 1.00 0.00 O ATOM 568 CB GLU A 121 -11.347 -3.415 2.930 1.00 0.00 C ATOM 569 CG GLU A 121 -11.102 -1.916 3.085 1.00 0.00 C ATOM 570 CD GLU A 121 -11.606 -1.357 4.378 1.00 0.00 C ATOM 571 OE1 GLU A 121 -12.791 -0.963 4.444 1.00 0.00 O ATOM 572 OE2 GLU A 121 -10.823 -1.256 5.346 1.00 0.00 O ATOM 0 H GLU A 121 -11.720 -5.550 0.615 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.080 -3.423 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.422 -3.598 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.938 -3.931 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.032 -1.721 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.583 -1.391 2.260 1.00 0.00 H new ATOM 579 N THR A 122 -8.549 -4.933 1.021 1.00 0.00 N ATOM 580 CA THR A 122 -7.120 -5.008 1.035 1.00 0.00 C ATOM 581 C THR A 122 -6.566 -5.007 -0.374 1.00 0.00 C ATOM 582 O THR A 122 -7.273 -5.295 -1.331 1.00 0.00 O ATOM 583 CB THR A 122 -6.612 -6.246 1.791 1.00 0.00 C ATOM 584 OG1 THR A 122 -7.127 -7.433 1.185 1.00 0.00 O ATOM 585 CG2 THR A 122 -7.014 -6.214 3.259 1.00 0.00 C ATOM 0 H THR A 122 -9.012 -5.657 0.472 1.00 0.00 H new ATOM 0 HA THR A 122 -6.765 -4.123 1.563 1.00 0.00 H new ATOM 0 HB THR A 122 -5.523 -6.241 1.736 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.383 -8.000 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.636 -7.106 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.593 -5.327 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.101 -6.186 3.338 1.00 0.00 H new ATOM 593 N CYS A 123 -5.329 -4.677 -0.499 1.00 0.00 N ATOM 594 CA CYS A 123 -4.679 -4.605 -1.758 1.00 0.00 C ATOM 595 C CYS A 123 -3.225 -4.963 -1.623 1.00 0.00 C ATOM 596 O CYS A 123 -2.646 -4.795 -0.566 1.00 0.00 O ATOM 597 CB CYS A 123 -4.835 -3.212 -2.298 1.00 0.00 C ATOM 598 SG CYS A 123 -4.396 -1.948 -1.109 1.00 0.00 S ATOM 0 H CYS A 123 -4.727 -4.444 0.291 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.131 -5.318 -2.448 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.212 -3.100 -3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.868 -3.064 -2.613 1.00 0.00 H new ATOM 0 HG CYS A 123 -4.307 -2.478 0.075 1.00 0.00 H new ATOM 604 N VAL A 124 -2.652 -5.441 -2.678 1.00 0.00 N ATOM 605 CA VAL A 124 -1.267 -5.797 -2.691 1.00 0.00 C ATOM 606 C VAL A 124 -0.501 -4.635 -3.251 1.00 0.00 C ATOM 607 O VAL A 124 -0.860 -4.098 -4.322 1.00 0.00 O ATOM 608 CB VAL A 124 -0.998 -7.052 -3.563 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.475 -7.454 -3.520 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.876 -8.206 -3.126 1.00 0.00 C ATOM 0 H VAL A 124 -3.133 -5.598 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.954 -6.033 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.246 -6.798 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.630 -8.336 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.087 -6.634 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.761 -7.679 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.671 -9.076 -3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.665 -8.449 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.924 -7.925 -3.228 1.00 0.00 H new ATOM 620 N VAL A 125 0.526 -4.245 -2.567 1.00 0.00 N ATOM 621 CA VAL A 125 1.325 -3.155 -2.993 1.00 0.00 C ATOM 622 C VAL A 125 2.733 -3.647 -3.241 1.00 0.00 C ATOM 623 O VAL A 125 3.208 -4.581 -2.587 1.00 0.00 O ATOM 624 CB VAL A 125 1.353 -2.013 -1.926 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.047 -1.463 -1.666 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.992 -2.489 -0.616 1.00 0.00 C ATOM 0 H VAL A 125 0.831 -4.678 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 125 0.895 -2.748 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 125 1.966 -1.208 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.006 -0.671 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.458 -1.062 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.690 -2.263 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.996 -1.671 0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.419 -3.324 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.016 -2.810 -0.806 1.00 0.00 H new ATOM 636 N VAL A 126 3.359 -3.068 -4.210 1.00 0.00 N ATOM 637 CA VAL A 126 4.707 -3.395 -4.558 1.00 0.00 C ATOM 638 C VAL A 126 5.577 -2.224 -4.220 1.00 0.00 C ATOM 639 O VAL A 126 5.378 -1.129 -4.759 1.00 0.00 O ATOM 640 CB VAL A 126 4.866 -3.714 -6.067 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.329 -3.999 -6.396 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.998 -4.894 -6.462 1.00 0.00 C ATOM 0 H VAL A 126 2.944 -2.342 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 126 4.994 -4.286 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 126 4.541 -2.844 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.426 -4.221 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.934 -3.126 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.673 -4.854 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.126 -5.100 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.291 -5.771 -5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.953 -4.660 -6.261 1.00 0.00 H new ATOM 652 N TYR A 127 6.510 -2.436 -3.347 1.00 0.00 N ATOM 653 CA TYR A 127 7.401 -1.394 -2.919 1.00 0.00 C ATOM 654 C TYR A 127 8.353 -1.017 -4.012 1.00 0.00 C ATOM 655 O TYR A 127 9.131 -1.853 -4.518 1.00 0.00 O ATOM 656 CB TYR A 127 8.148 -1.789 -1.670 1.00 0.00 C ATOM 657 CG TYR A 127 7.238 -1.988 -0.505 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.807 -0.901 0.227 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.799 -3.257 -0.133 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.969 -1.052 1.287 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.962 -3.415 0.930 1.00 0.00 C ATOM 662 CZ TYR A 127 5.546 -2.301 1.641 1.00 0.00 C ATOM 663 OH TYR A 127 4.693 -2.432 2.691 1.00 0.00 O ATOM 0 H TYR A 127 6.680 -3.340 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 127 6.794 -0.520 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.702 -2.709 -1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.881 -1.019 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.142 0.089 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.125 -4.122 -0.692 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.640 -0.189 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.625 -4.401 1.216 1.00 0.00 H new ATOM 0 HH TYR A 127 4.861 -3.284 3.144 1.00 0.00 H new ATOM 673 N THR A 128 8.277 0.219 -4.372 1.00 0.00 N ATOM 674 CA THR A 128 9.048 0.792 -5.412 1.00 0.00 C ATOM 675 C THR A 128 10.536 0.767 -5.042 1.00 0.00 C ATOM 676 O THR A 128 10.911 1.105 -3.919 1.00 0.00 O ATOM 677 CB THR A 128 8.591 2.235 -5.616 1.00 0.00 C ATOM 678 OG1 THR A 128 7.148 2.261 -5.690 1.00 0.00 O ATOM 679 CG2 THR A 128 9.171 2.770 -6.898 1.00 0.00 C ATOM 0 H THR A 128 7.645 0.884 -3.926 1.00 0.00 H new ATOM 0 HA THR A 128 8.910 0.221 -6.330 1.00 0.00 H new ATOM 0 HB THR A 128 8.930 2.853 -4.784 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.844 3.184 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 128 8.845 3.800 -7.043 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.259 2.738 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.830 2.160 -7.734 1.00 0.00 H new ATOM 687 N GLY A 129 11.365 0.315 -5.965 1.00 0.00 N ATOM 688 CA GLY A 129 12.787 0.254 -5.721 1.00 0.00 C ATOM 689 C GLY A 129 13.201 -1.062 -5.112 1.00 0.00 C ATOM 690 O GLY A 129 14.364 -1.450 -5.181 1.00 0.00 O ATOM 0 H GLY A 129 11.076 -0.013 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.322 0.404 -6.659 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.076 1.068 -5.056 1.00 0.00 H new ATOM 694 N TYR A 130 12.262 -1.751 -4.514 1.00 0.00 N ATOM 695 CA TYR A 130 12.560 -3.012 -3.895 1.00 0.00 C ATOM 696 C TYR A 130 12.008 -4.156 -4.710 1.00 0.00 C ATOM 697 O TYR A 130 12.734 -5.085 -5.056 1.00 0.00 O ATOM 698 CB TYR A 130 12.039 -3.051 -2.461 1.00 0.00 C ATOM 699 CG TYR A 130 12.600 -1.942 -1.607 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.873 -2.036 -1.079 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.862 -0.796 -1.345 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.400 -1.026 -0.308 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.381 0.223 -0.577 1.00 0.00 C ATOM 704 CZ TYR A 130 13.655 0.102 -0.061 1.00 0.00 C ATOM 705 OH TYR A 130 14.186 1.108 0.713 1.00 0.00 O ATOM 0 H TYR A 130 11.287 -1.458 -4.444 1.00 0.00 H new ATOM 0 HA TYR A 130 13.644 -3.124 -3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.951 -2.981 -2.472 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.292 -4.012 -2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.465 -2.918 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.865 -0.702 -1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.395 -1.119 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.796 1.109 -0.380 1.00 0.00 H new ATOM 0 HH TYR A 130 13.565 1.324 1.440 1.00 0.00 H new ATOM 715 N GLY A 131 10.753 -4.074 -5.066 1.00 0.00 N ATOM 716 CA GLY A 131 10.142 -5.142 -5.826 1.00 0.00 C ATOM 717 C GLY A 131 9.385 -6.088 -4.936 1.00 0.00 C ATOM 718 O GLY A 131 8.848 -7.102 -5.395 1.00 0.00 O ATOM 0 H GLY A 131 10.137 -3.291 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.466 -4.720 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.912 -5.690 -6.370 1.00 0.00 H new ATOM 722 N ASN A 132 9.343 -5.761 -3.664 1.00 0.00 N ATOM 723 CA ASN A 132 8.603 -6.551 -2.688 1.00 0.00 C ATOM 724 C ASN A 132 7.141 -6.273 -2.824 1.00 0.00 C ATOM 725 O ASN A 132 6.754 -5.194 -3.258 1.00 0.00 O ATOM 726 CB ASN A 132 8.986 -6.206 -1.262 1.00 0.00 C ATOM 727 CG ASN A 132 10.243 -6.848 -0.722 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.177 -7.171 -1.453 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.283 -6.992 0.582 1.00 0.00 N ATOM 0 H ASN A 132 9.815 -4.946 -3.272 1.00 0.00 H new ATOM 0 HA ASN A 132 8.841 -7.596 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.100 -5.124 -1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.157 -6.482 -0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.113 -7.385 1.026 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.485 -6.710 1.151 1.00 0.00 H new ATOM 736 N ARG A 133 6.341 -7.206 -2.431 1.00 0.00 N ATOM 737 CA ARG A 133 4.924 -7.055 -2.479 1.00 0.00 C ATOM 738 C ARG A 133 4.319 -7.590 -1.205 1.00 0.00 C ATOM 739 O ARG A 133 4.778 -8.606 -0.672 1.00 0.00 O ATOM 740 CB ARG A 133 4.335 -7.724 -3.759 1.00 0.00 C ATOM 741 CG ARG A 133 4.585 -9.229 -3.915 1.00 0.00 C ATOM 742 CD ARG A 133 3.624 -10.082 -3.093 1.00 0.00 C ATOM 743 NE ARG A 133 3.983 -11.492 -3.139 1.00 0.00 N ATOM 744 CZ ARG A 133 3.781 -12.370 -2.155 1.00 0.00 C ATOM 745 NH1 ARG A 133 3.120 -12.021 -1.053 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.232 -13.596 -2.283 1.00 0.00 N ATOM 0 H ARG A 133 6.654 -8.104 -2.064 1.00 0.00 H new ATOM 0 HA ARG A 133 4.668 -5.998 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.259 -7.553 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.747 -7.216 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.493 -9.500 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.609 -9.454 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.627 -9.739 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.609 -9.952 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 133 4.424 -11.836 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.761 -11.072 -0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.973 -12.703 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.732 -13.870 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 133 4.083 -14.275 -1.536 1.00 0.00 H new ATOM 760 N GLU A 134 3.354 -6.908 -0.698 1.00 0.00 N ATOM 761 CA GLU A 134 2.661 -7.340 0.478 1.00 0.00 C ATOM 762 C GLU A 134 1.264 -6.757 0.438 1.00 0.00 C ATOM 763 O GLU A 134 1.011 -5.811 -0.320 1.00 0.00 O ATOM 764 CB GLU A 134 3.387 -6.999 1.786 1.00 0.00 C ATOM 765 CG GLU A 134 3.183 -5.611 2.242 1.00 0.00 C ATOM 766 CD GLU A 134 3.716 -5.351 3.621 1.00 0.00 C ATOM 767 OE1 GLU A 134 3.030 -5.687 4.589 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.823 -4.812 3.772 1.00 0.00 O ATOM 0 H GLU A 134 3.016 -6.027 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 134 2.619 -8.429 0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.047 -7.680 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.455 -7.174 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.666 -4.931 1.540 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.117 -5.384 2.224 1.00 0.00 H new ATOM 775 N GLU A 135 0.367 -7.354 1.149 1.00 0.00 N ATOM 776 CA GLU A 135 -1.009 -6.956 1.127 1.00 0.00 C ATOM 777 C GLU A 135 -1.330 -6.044 2.306 1.00 0.00 C ATOM 778 O GLU A 135 -1.051 -6.373 3.465 1.00 0.00 O ATOM 779 CB GLU A 135 -1.884 -8.172 1.165 1.00 0.00 C ATOM 780 CG GLU A 135 -3.272 -7.933 0.622 1.00 0.00 C ATOM 781 CD GLU A 135 -4.086 -9.195 0.502 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.592 -10.190 -0.070 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.239 -9.230 0.976 1.00 0.00 O ATOM 0 H GLU A 135 0.566 -8.139 1.769 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.197 -6.401 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.410 -8.969 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -1.961 -8.523 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.794 -7.232 1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.196 -7.462 -0.358 1.00 0.00 H new ATOM 790 N GLN A 136 -1.938 -4.945 2.000 1.00 0.00 N ATOM 791 CA GLN A 136 -2.309 -3.919 2.961 1.00 0.00 C ATOM 792 C GLN A 136 -3.752 -3.592 2.825 1.00 0.00 C ATOM 793 O GLN A 136 -4.359 -3.918 1.833 1.00 0.00 O ATOM 794 CB GLN A 136 -1.512 -2.609 2.789 1.00 0.00 C ATOM 795 CG GLN A 136 -0.248 -2.535 3.605 1.00 0.00 C ATOM 796 CD GLN A 136 0.928 -3.082 2.896 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.802 -3.903 2.033 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.083 -2.688 3.323 1.00 0.00 N ATOM 0 H GLN A 136 -2.206 -4.714 1.043 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.082 -4.332 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.257 -2.489 1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.153 -1.770 3.059 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.054 -1.496 3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.391 -3.082 4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.142 -1.986 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.935 -3.079 2.922 1.00 0.00 H new ATOM 807 N ASN A 137 -4.295 -2.954 3.809 1.00 0.00 N ATOM 808 CA ASN A 137 -5.664 -2.513 3.747 1.00 0.00 C ATOM 809 C ASN A 137 -5.703 -1.222 2.986 1.00 0.00 C ATOM 810 O ASN A 137 -4.766 -0.428 3.058 1.00 0.00 O ATOM 811 CB ASN A 137 -6.269 -2.267 5.137 1.00 0.00 C ATOM 812 CG ASN A 137 -6.267 -3.471 6.039 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.218 -4.253 6.052 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.214 -3.623 6.800 1.00 0.00 N ATOM 0 H ASN A 137 -3.812 -2.721 4.677 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.247 -3.297 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.716 -1.463 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.295 -1.920 5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.157 -4.416 7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.450 -2.949 6.754 1.00 0.00 H new ATOM 821 N LEU A 138 -6.774 -0.997 2.296 1.00 0.00 N ATOM 822 CA LEU A 138 -6.989 0.240 1.521 1.00 0.00 C ATOM 823 C LEU A 138 -6.979 1.446 2.463 1.00 0.00 C ATOM 824 O LEU A 138 -6.557 2.549 2.110 1.00 0.00 O ATOM 825 CB LEU A 138 -8.344 0.171 0.808 1.00 0.00 C ATOM 826 CG LEU A 138 -8.524 -0.967 -0.196 1.00 0.00 C ATOM 827 CD1 LEU A 138 -9.973 -1.072 -0.610 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.662 -0.746 -1.416 1.00 0.00 C ATOM 0 H LEU A 138 -7.549 -1.658 2.237 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.192 0.344 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.125 0.087 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.505 1.115 0.288 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.218 -1.896 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.089 -1.886 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.589 -1.270 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.288 -0.136 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.806 -1.568 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -7.942 0.192 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.614 -0.703 -1.118 1.00 0.00 H new ATOM 840 N SER A 139 -7.431 1.204 3.664 1.00 0.00 N ATOM 841 CA SER A 139 -7.507 2.151 4.682 1.00 0.00 C ATOM 842 C SER A 139 -6.137 2.390 5.328 1.00 0.00 C ATOM 843 O SER A 139 -5.874 3.457 5.899 1.00 0.00 O ATOM 844 CB SER A 139 -8.456 1.573 5.665 1.00 0.00 C ATOM 845 OG SER A 139 -9.675 1.211 5.020 1.00 0.00 O ATOM 0 H SER A 139 -7.768 0.284 3.948 1.00 0.00 H new ATOM 0 HA SER A 139 -7.834 3.121 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.012 0.697 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.656 2.295 6.456 1.00 0.00 H new ATOM 0 HG SER A 139 -9.947 0.316 5.313 1.00 0.00 H new ATOM 851 N ASP A 140 -5.274 1.404 5.218 1.00 0.00 N ATOM 852 CA ASP A 140 -3.933 1.457 5.815 1.00 0.00 C ATOM 853 C ASP A 140 -3.033 2.215 4.929 1.00 0.00 C ATOM 854 O ASP A 140 -2.127 2.867 5.384 1.00 0.00 O ATOM 855 CB ASP A 140 -3.372 0.072 5.985 1.00 0.00 C ATOM 856 CG ASP A 140 -2.127 0.018 6.878 1.00 0.00 C ATOM 857 OD1 ASP A 140 -2.124 0.614 7.987 1.00 0.00 O ATOM 858 OD2 ASP A 140 -1.158 -0.681 6.507 1.00 0.00 O ATOM 0 H ASP A 140 -5.470 0.538 4.715 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.010 1.939 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.141 -0.573 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.123 -0.333 5.004 1.00 0.00 H new ATOM 863 N LEU A 141 -3.300 2.103 3.652 1.00 0.00 N ATOM 864 CA LEU A 141 -2.536 2.802 2.627 1.00 0.00 C ATOM 865 C LEU A 141 -2.520 4.282 2.861 1.00 0.00 C ATOM 866 O LEU A 141 -3.529 4.886 3.285 1.00 0.00 O ATOM 867 CB LEU A 141 -3.078 2.559 1.232 1.00 0.00 C ATOM 868 CG LEU A 141 -3.085 1.143 0.713 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.512 1.151 -0.735 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.725 0.512 0.860 1.00 0.00 C ATOM 0 H LEU A 141 -4.055 1.524 3.284 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.526 2.399 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.102 2.931 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.498 3.167 0.538 1.00 0.00 H new ATOM 0 HG LEU A 141 -3.790 0.550 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.520 0.130 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.512 1.577 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.813 1.752 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -1.754 -0.509 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.993 1.089 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.442 0.498 1.913 1.00 0.00 H new ATOM 882 N LEU A 142 -1.404 4.859 2.598 1.00 0.00 N ATOM 883 CA LEU A 142 -1.232 6.251 2.756 1.00 0.00 C ATOM 884 C LEU A 142 -1.017 6.860 1.403 1.00 0.00 C ATOM 885 O LEU A 142 -0.680 6.140 0.449 1.00 0.00 O ATOM 886 CB LEU A 142 -0.056 6.574 3.698 1.00 0.00 C ATOM 887 CG LEU A 142 -0.177 6.068 5.148 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.256 4.607 5.295 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.558 6.985 6.110 1.00 0.00 C ATOM 0 H LEU A 142 -0.575 4.368 2.263 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.126 6.673 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.853 6.155 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.073 7.656 3.724 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.234 6.096 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 142 0.152 4.300 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.372 3.976 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.297 4.503 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.456 6.604 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.614 7.023 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.133 7.987 6.054 1.00 0.00 H new ATOM 901 N SER A 143 -1.196 8.159 1.314 1.00 0.00 N ATOM 902 CA SER A 143 -1.034 8.885 0.080 1.00 0.00 C ATOM 903 C SER A 143 0.427 8.739 -0.355 1.00 0.00 C ATOM 904 O SER A 143 1.319 8.613 0.509 1.00 0.00 O ATOM 905 CB SER A 143 -1.394 10.370 0.321 1.00 0.00 C ATOM 906 OG SER A 143 -1.604 11.077 -0.901 1.00 0.00 O ATOM 0 H SER A 143 -1.461 8.745 2.106 1.00 0.00 H new ATOM 0 HA SER A 143 -1.688 8.498 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.294 10.430 0.933 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.593 10.850 0.884 1.00 0.00 H new ATOM 0 HG SER A 143 -1.831 12.010 -0.704 1.00 0.00 H new