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 1:sc= -0.299 USER MOD Set 1.2: A 136 GLN : amide:sc= -3.28! C(o=-3.6!,f=-13!) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.813) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 0:sc= 1.19 USER MOD Single : A 99 SER OG : rot 101:sc= 1.31 USER MOD Single : A 103 SER OG : rot 46:sc= 1.11 USER MOD Single : A 107 CYS SG : rot 127:sc= 1.05 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= -0.168 USER MOD Single : A 119 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0195) USER MOD Single : A 122 THR OG1 : rot 155:sc= 0.635 USER MOD Single : A 123 CYS SG : rot -70:sc= -5.91! USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00721 USER MOD Single : A 130 TYR OH : rot -118:sc=0.000613 USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 139 SER OG : rot 148:sc= 1.21 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N TRP A 92 -8.928 3.733 -3.810 1.00 0.00 N ATOM 116 CA TRP A 92 -7.756 3.448 -4.567 1.00 0.00 C ATOM 117 C TRP A 92 -8.120 2.608 -5.770 1.00 0.00 C ATOM 118 O TRP A 92 -9.213 2.012 -5.806 1.00 0.00 O ATOM 119 CB TRP A 92 -6.772 2.693 -3.699 1.00 0.00 C ATOM 120 CG TRP A 92 -6.307 3.452 -2.493 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.826 3.401 -1.232 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.218 4.366 -2.441 1.00 0.00 C ATOM 123 NE1 TRP A 92 -6.114 4.216 -0.396 1.00 0.00 N ATOM 124 CE2 TRP A 92 -5.120 4.828 -1.117 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.309 4.833 -3.389 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -4.148 5.733 -0.721 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.350 5.726 -2.999 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.272 6.168 -1.676 1.00 0.00 C ATOM 0 HA TRP A 92 -7.304 4.381 -4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -7.234 1.761 -3.372 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.905 2.424 -4.302 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -7.676 2.804 -0.937 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.293 4.347 0.600 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -4.361 4.495 -4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.085 6.080 0.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.641 6.096 -3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.500 6.871 -1.401 1.00 0.00 H new ATOM 139 N LYS A 93 -7.237 2.582 -6.748 1.00 0.00 N ATOM 140 CA LYS A 93 -7.392 1.760 -7.931 1.00 0.00 C ATOM 141 C LYS A 93 -6.090 1.013 -8.177 1.00 0.00 C ATOM 142 O LYS A 93 -5.049 1.384 -7.625 1.00 0.00 O ATOM 143 CB LYS A 93 -7.750 2.607 -9.158 1.00 0.00 C ATOM 144 CG LYS A 93 -6.680 3.605 -9.539 1.00 0.00 C ATOM 145 CD LYS A 93 -7.108 4.476 -10.704 1.00 0.00 C ATOM 146 CE LYS A 93 -6.082 5.565 -10.990 1.00 0.00 C ATOM 147 NZ LYS A 93 -5.954 6.522 -9.867 1.00 0.00 N ATOM 0 H LYS A 93 -6.382 3.138 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.208 1.056 -7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.935 1.945 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -8.680 3.141 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.449 4.235 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.765 3.074 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.242 3.858 -11.592 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -8.073 4.932 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.113 5.106 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.369 6.104 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.558 7.418 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.891 6.697 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.323 6.124 -9.142 1.00 0.00 H new ATOM 161 N VAL A 94 -6.151 -0.028 -8.952 1.00 0.00 N ATOM 162 CA VAL A 94 -4.969 -0.798 -9.316 1.00 0.00 C ATOM 163 C VAL A 94 -4.017 0.072 -10.139 1.00 0.00 C ATOM 164 O VAL A 94 -4.441 0.729 -11.095 1.00 0.00 O ATOM 165 CB VAL A 94 -5.341 -2.094 -10.097 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.096 -2.841 -10.565 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.192 -3.005 -9.227 1.00 0.00 C ATOM 0 H VAL A 94 -7.018 -0.379 -9.358 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.471 -1.107 -8.397 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.910 -1.798 -10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.393 -3.740 -11.106 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.512 -2.198 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.493 -3.120 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.445 -3.907 -9.784 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.635 -3.277 -8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.107 -2.485 -8.942 1.00 0.00 H new ATOM 177 N GLY A 95 -2.757 0.097 -9.760 1.00 0.00 N ATOM 178 CA GLY A 95 -1.793 0.896 -10.457 1.00 0.00 C ATOM 179 C GLY A 95 -1.722 2.298 -9.911 1.00 0.00 C ATOM 180 O GLY A 95 -1.318 3.220 -10.620 1.00 0.00 O ATOM 0 H GLY A 95 -2.384 -0.430 -8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.812 0.428 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.049 0.932 -11.516 1.00 0.00 H new ATOM 184 N ASP A 96 -2.128 2.471 -8.673 1.00 0.00 N ATOM 185 CA ASP A 96 -2.098 3.782 -8.031 1.00 0.00 C ATOM 186 C ASP A 96 -0.898 3.835 -7.127 1.00 0.00 C ATOM 187 O ASP A 96 -0.577 2.834 -6.478 1.00 0.00 O ATOM 188 CB ASP A 96 -3.328 3.983 -7.169 1.00 0.00 C ATOM 189 CG ASP A 96 -3.889 5.385 -7.245 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.156 6.361 -7.034 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.079 5.538 -7.574 1.00 0.00 O ATOM 0 H ASP A 96 -2.486 1.721 -8.082 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.062 4.552 -8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.097 3.274 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.078 3.755 -6.133 1.00 0.00 H new ATOM 196 N LYS A 97 -0.221 4.948 -7.093 1.00 0.00 N ATOM 197 CA LYS A 97 0.923 5.099 -6.230 1.00 0.00 C ATOM 198 C LYS A 97 0.478 5.476 -4.840 1.00 0.00 C ATOM 199 O LYS A 97 -0.454 6.274 -4.673 1.00 0.00 O ATOM 200 CB LYS A 97 1.878 6.147 -6.756 1.00 0.00 C ATOM 201 CG LYS A 97 2.340 5.896 -8.173 1.00 0.00 C ATOM 202 CD LYS A 97 3.660 6.582 -8.441 1.00 0.00 C ATOM 203 CE LYS A 97 3.594 8.081 -8.202 1.00 0.00 C ATOM 204 NZ LYS A 97 4.912 8.720 -8.378 1.00 0.00 N ATOM 0 H LYS A 97 -0.441 5.770 -7.655 1.00 0.00 H new ATOM 0 HA LYS A 97 1.445 4.143 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.394 7.122 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.749 6.192 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.442 4.824 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.588 6.259 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.428 6.148 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.961 6.394 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.878 8.528 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.228 8.273 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.828 9.742 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 5.589 8.311 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 5.250 8.558 -9.348 1.00 0.00 H new ATOM 218 N CYS A 98 1.134 4.940 -3.861 1.00 0.00 N ATOM 219 CA CYS A 98 0.786 5.188 -2.497 1.00 0.00 C ATOM 220 C CYS A 98 1.995 4.947 -1.616 1.00 0.00 C ATOM 221 O CYS A 98 3.122 4.791 -2.111 1.00 0.00 O ATOM 222 CB CYS A 98 -0.380 4.261 -2.087 1.00 0.00 C ATOM 223 SG CYS A 98 -0.039 2.499 -2.260 1.00 0.00 S ATOM 0 H CYS A 98 1.930 4.315 -3.985 1.00 0.00 H new ATOM 0 HA CYS A 98 0.468 6.224 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -0.642 4.466 -1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -1.253 4.509 -2.691 1.00 0.00 H new ATOM 0 HG CYS A 98 1.168 2.333 -2.713 1.00 0.00 H new ATOM 229 N SER A 99 1.782 4.957 -0.351 1.00 0.00 N ATOM 230 CA SER A 99 2.793 4.620 0.573 1.00 0.00 C ATOM 231 C SER A 99 2.206 3.604 1.497 1.00 0.00 C ATOM 232 O SER A 99 1.015 3.694 1.863 1.00 0.00 O ATOM 233 CB SER A 99 3.242 5.821 1.352 1.00 0.00 C ATOM 234 OG SER A 99 3.442 6.943 0.497 1.00 0.00 O ATOM 0 H SER A 99 0.888 5.203 0.074 1.00 0.00 H new ATOM 0 HA SER A 99 3.668 4.232 0.052 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.498 6.066 2.110 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.169 5.591 1.878 1.00 0.00 H new ATOM 0 HG SER A 99 2.671 7.545 0.561 1.00 0.00 H new ATOM 240 N ALA A 100 2.987 2.665 1.863 1.00 0.00 N ATOM 241 CA ALA A 100 2.526 1.585 2.666 1.00 0.00 C ATOM 242 C ALA A 100 3.473 1.348 3.816 1.00 0.00 C ATOM 243 O ALA A 100 4.625 1.815 3.786 1.00 0.00 O ATOM 244 CB ALA A 100 2.372 0.344 1.805 1.00 0.00 C ATOM 0 H ALA A 100 3.975 2.616 1.616 1.00 0.00 H new ATOM 0 HA ALA A 100 1.552 1.832 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.019 -0.484 2.420 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.652 0.539 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.335 0.084 1.365 1.00 0.00 H new ATOM 250 N ILE A 101 2.990 0.675 4.826 1.00 0.00 N ATOM 251 CA ILE A 101 3.789 0.349 5.979 1.00 0.00 C ATOM 252 C ILE A 101 4.410 -1.004 5.749 1.00 0.00 C ATOM 253 O ILE A 101 3.692 -1.995 5.598 1.00 0.00 O ATOM 254 CB ILE A 101 2.933 0.300 7.294 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.522 1.699 7.746 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.669 -0.431 8.428 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.678 2.526 8.270 1.00 0.00 C ATOM 0 H ILE A 101 2.029 0.336 4.873 1.00 0.00 H new ATOM 0 HA ILE A 101 4.546 1.123 6.106 1.00 0.00 H new ATOM 0 HB ILE A 101 2.030 -0.264 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.061 2.222 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.764 1.613 8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.043 -0.443 9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.884 -1.455 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.603 0.086 8.648 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.315 3.508 8.573 1.00 0.00 H new ATOM 0 HD12 ILE A 101 4.125 2.024 9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.427 2.642 7.486 1.00 0.00 H new ATOM 269 N TRP A 102 5.721 -1.037 5.688 1.00 0.00 N ATOM 270 CA TRP A 102 6.432 -2.268 5.481 1.00 0.00 C ATOM 271 C TRP A 102 6.226 -3.158 6.661 1.00 0.00 C ATOM 272 O TRP A 102 6.504 -2.767 7.767 1.00 0.00 O ATOM 273 CB TRP A 102 7.923 -2.022 5.294 1.00 0.00 C ATOM 274 CG TRP A 102 8.667 -3.230 4.792 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.155 -4.253 4.047 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.054 -3.525 4.955 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.116 -5.162 3.768 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.295 -4.742 4.297 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.112 -2.889 5.589 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.547 -5.330 4.257 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.360 -3.476 5.549 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.562 -4.687 4.885 1.00 0.00 C ATOM 0 H TRP A 102 6.318 -0.215 5.780 1.00 0.00 H new ATOM 0 HA TRP A 102 6.046 -2.738 4.576 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.063 -1.200 4.592 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.354 -1.707 6.244 1.00 0.00 H new ATOM 0 HD1 TRP A 102 7.127 -4.326 3.726 1.00 0.00 H new ATOM 0 HE1 TRP A 102 8.978 -6.026 3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 102 10.961 -1.952 6.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 11.710 -6.267 3.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 13.192 -2.992 6.038 1.00 0.00 H new ATOM 0 HH2 TRP A 102 13.550 -5.122 4.871 1.00 0.00 H new ATOM 293 N SER A 103 5.771 -4.339 6.420 1.00 0.00 N ATOM 294 CA SER A 103 5.519 -5.314 7.440 1.00 0.00 C ATOM 295 C SER A 103 6.745 -5.612 8.286 1.00 0.00 C ATOM 296 O SER A 103 6.640 -5.897 9.470 1.00 0.00 O ATOM 297 CB SER A 103 5.054 -6.576 6.766 1.00 0.00 C ATOM 298 OG SER A 103 3.758 -6.420 6.232 1.00 0.00 O ATOM 0 H SER A 103 5.555 -4.669 5.479 1.00 0.00 H new ATOM 0 HA SER A 103 4.763 -4.916 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.749 -6.844 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.059 -7.397 7.483 1.00 0.00 H new ATOM 0 HG SER A 103 3.701 -5.565 5.756 1.00 0.00 H new ATOM 304 N GLU A 104 7.881 -5.503 7.689 1.00 0.00 N ATOM 305 CA GLU A 104 9.092 -5.902 8.338 1.00 0.00 C ATOM 306 C GLU A 104 9.682 -4.820 9.215 1.00 0.00 C ATOM 307 O GLU A 104 10.169 -5.099 10.303 1.00 0.00 O ATOM 308 CB GLU A 104 10.093 -6.359 7.328 1.00 0.00 C ATOM 309 CG GLU A 104 9.562 -7.432 6.411 1.00 0.00 C ATOM 310 CD GLU A 104 9.092 -8.651 7.149 1.00 0.00 C ATOM 311 OE1 GLU A 104 9.936 -9.412 7.661 1.00 0.00 O ATOM 312 OE2 GLU A 104 7.884 -8.882 7.225 1.00 0.00 O ATOM 0 H GLU A 104 8.002 -5.138 6.744 1.00 0.00 H new ATOM 0 HA GLU A 104 8.835 -6.729 8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.413 -5.505 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.976 -6.736 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.736 -7.027 5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.342 -7.719 5.706 1.00 0.00 H new ATOM 319 N ASP A 105 9.652 -3.596 8.757 1.00 0.00 N ATOM 320 CA ASP A 105 10.295 -2.527 9.522 1.00 0.00 C ATOM 321 C ASP A 105 9.255 -1.629 10.147 1.00 0.00 C ATOM 322 O ASP A 105 9.528 -0.900 11.096 1.00 0.00 O ATOM 323 CB ASP A 105 11.211 -1.724 8.603 1.00 0.00 C ATOM 324 CG ASP A 105 12.193 -0.840 9.322 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.171 -1.364 9.890 1.00 0.00 O ATOM 326 OD2 ASP A 105 12.036 0.370 9.293 1.00 0.00 O ATOM 0 H ASP A 105 9.207 -3.306 7.886 1.00 0.00 H new ATOM 0 HA ASP A 105 10.890 -2.967 10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.762 -2.415 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.597 -1.106 7.948 1.00 0.00 H new ATOM 331 N GLY A 106 8.044 -1.714 9.626 1.00 0.00 N ATOM 332 CA GLY A 106 6.931 -0.934 10.141 1.00 0.00 C ATOM 333 C GLY A 106 6.923 0.486 9.637 1.00 0.00 C ATOM 334 O GLY A 106 6.094 1.292 10.053 1.00 0.00 O ATOM 0 H GLY A 106 7.805 -2.320 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.995 -1.418 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.973 -0.927 11.230 1.00 0.00 H new ATOM 338 N CYS A 107 7.842 0.803 8.771 1.00 0.00 N ATOM 339 CA CYS A 107 7.974 2.150 8.285 1.00 0.00 C ATOM 340 C CYS A 107 7.217 2.405 6.992 1.00 0.00 C ATOM 341 O CYS A 107 6.837 1.458 6.290 1.00 0.00 O ATOM 342 CB CYS A 107 9.429 2.504 8.162 1.00 0.00 C ATOM 343 SG CYS A 107 10.282 2.548 9.738 1.00 0.00 S ATOM 0 H CYS A 107 8.516 0.143 8.383 1.00 0.00 H new ATOM 0 HA CYS A 107 7.507 2.808 9.018 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.919 1.779 7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 107 9.520 3.477 7.680 1.00 0.00 H new ATOM 0 HG CYS A 107 11.342 1.798 9.679 1.00 0.00 H new ATOM 349 N ILE A 108 7.005 3.675 6.688 1.00 0.00 N ATOM 350 CA ILE A 108 6.378 4.091 5.445 1.00 0.00 C ATOM 351 C ILE A 108 7.382 3.985 4.309 1.00 0.00 C ATOM 352 O ILE A 108 8.500 4.506 4.405 1.00 0.00 O ATOM 353 CB ILE A 108 5.893 5.570 5.488 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.872 5.806 6.592 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.289 5.952 4.149 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.518 5.201 6.323 1.00 0.00 C ATOM 0 H ILE A 108 7.264 4.449 7.299 1.00 0.00 H new ATOM 0 HA ILE A 108 5.519 3.437 5.296 1.00 0.00 H new ATOM 0 HB ILE A 108 6.762 6.193 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.261 5.397 7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.755 6.880 6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.951 6.988 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.040 5.842 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.442 5.301 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.851 5.416 7.158 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.104 5.627 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.618 4.122 6.207 1.00 0.00 H new ATOM 368 N TYR A 109 6.990 3.327 3.271 1.00 0.00 N ATOM 369 CA TYR A 109 7.787 3.192 2.073 1.00 0.00 C ATOM 370 C TYR A 109 6.907 3.399 0.859 1.00 0.00 C ATOM 371 O TYR A 109 5.688 3.153 0.931 1.00 0.00 O ATOM 372 CB TYR A 109 8.454 1.826 2.002 1.00 0.00 C ATOM 373 CG TYR A 109 9.563 1.612 2.998 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.864 1.972 2.701 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.311 1.023 4.218 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.882 1.747 3.597 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.316 0.798 5.121 1.00 0.00 C ATOM 378 CZ TYR A 109 11.600 1.156 4.811 1.00 0.00 C ATOM 379 OH TYR A 109 12.610 0.930 5.726 1.00 0.00 O ATOM 0 H TYR A 109 6.088 2.853 3.219 1.00 0.00 H new ATOM 0 HA TYR A 109 8.573 3.947 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.695 1.058 2.154 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.854 1.684 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.084 2.437 1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.301 0.733 4.467 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.895 2.031 3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.096 0.340 6.074 1.00 0.00 H new ATOM 0 HH TYR A 109 12.237 0.508 6.528 1.00 0.00 H new ATOM 389 N PRO A 110 7.479 3.889 -0.256 1.00 0.00 N ATOM 390 CA PRO A 110 6.726 4.100 -1.487 1.00 0.00 C ATOM 391 C PRO A 110 6.358 2.765 -2.132 1.00 0.00 C ATOM 392 O PRO A 110 7.222 1.894 -2.337 1.00 0.00 O ATOM 393 CB PRO A 110 7.698 4.886 -2.381 1.00 0.00 C ATOM 394 CG PRO A 110 9.059 4.540 -1.873 1.00 0.00 C ATOM 395 CD PRO A 110 8.911 4.253 -0.407 1.00 0.00 C ATOM 0 HA PRO A 110 5.785 4.625 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.585 4.606 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.514 5.958 -2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.460 3.673 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.755 5.363 -2.038 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.565 3.440 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 110 9.168 5.122 0.198 1.00 0.00 H new ATOM 403 N ALA A 111 5.104 2.594 -2.432 1.00 0.00 N ATOM 404 CA ALA A 111 4.632 1.380 -3.015 1.00 0.00 C ATOM 405 C ALA A 111 3.466 1.659 -3.912 1.00 0.00 C ATOM 406 O ALA A 111 2.657 2.531 -3.641 1.00 0.00 O ATOM 407 CB ALA A 111 4.233 0.392 -1.947 1.00 0.00 C ATOM 0 H ALA A 111 4.381 3.296 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 111 5.441 0.946 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.876 -0.526 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.095 0.168 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.439 0.819 -1.335 1.00 0.00 H new ATOM 413 N THR A 112 3.353 0.920 -4.946 1.00 0.00 N ATOM 414 CA THR A 112 2.281 1.125 -5.869 1.00 0.00 C ATOM 415 C THR A 112 1.338 -0.071 -5.785 1.00 0.00 C ATOM 416 O THR A 112 1.778 -1.193 -5.519 1.00 0.00 O ATOM 417 CB THR A 112 2.861 1.266 -7.286 1.00 0.00 C ATOM 418 OG1 THR A 112 3.967 2.191 -7.232 1.00 0.00 O ATOM 419 CG2 THR A 112 1.830 1.813 -8.259 1.00 0.00 C ATOM 0 H THR A 112 3.989 0.159 -5.186 1.00 0.00 H new ATOM 0 HA THR A 112 1.728 2.033 -5.629 1.00 0.00 H new ATOM 0 HB THR A 112 3.174 0.281 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.352 2.293 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.275 1.899 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.976 1.137 -8.302 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.498 2.796 -7.923 1.00 0.00 H new ATOM 427 N ILE A 113 0.071 0.162 -6.002 1.00 0.00 N ATOM 428 CA ILE A 113 -0.929 -0.874 -5.885 1.00 0.00 C ATOM 429 C ILE A 113 -0.883 -1.801 -7.087 1.00 0.00 C ATOM 430 O ILE A 113 -1.009 -1.358 -8.219 1.00 0.00 O ATOM 431 CB ILE A 113 -2.328 -0.256 -5.763 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.354 0.715 -4.587 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.370 -1.347 -5.578 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.623 1.499 -4.472 1.00 0.00 C ATOM 0 H ILE A 113 -0.301 1.075 -6.265 1.00 0.00 H new ATOM 0 HA ILE A 113 -0.714 -1.452 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.563 0.288 -6.678 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -2.200 0.156 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.518 1.408 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -4.358 -0.895 -5.493 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.351 -2.018 -6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.149 -1.911 -4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -3.562 2.166 -3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -3.770 2.088 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -4.462 0.816 -4.343 1.00 0.00 H new ATOM 446 N ALA A 114 -0.708 -3.067 -6.832 1.00 0.00 N ATOM 447 CA ALA A 114 -0.629 -4.050 -7.882 1.00 0.00 C ATOM 448 C ALA A 114 -1.967 -4.725 -8.102 1.00 0.00 C ATOM 449 O ALA A 114 -2.285 -5.108 -9.221 1.00 0.00 O ATOM 450 CB ALA A 114 0.433 -5.084 -7.560 1.00 0.00 C ATOM 0 H ALA A 114 -0.616 -3.449 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.354 -3.535 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.480 -5.819 -8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 114 1.401 -4.593 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 114 0.182 -5.584 -6.624 1.00 0.00 H new ATOM 456 N SER A 115 -2.744 -4.879 -7.041 1.00 0.00 N ATOM 457 CA SER A 115 -4.051 -5.544 -7.114 1.00 0.00 C ATOM 458 C SER A 115 -4.871 -5.150 -5.894 1.00 0.00 C ATOM 459 O SER A 115 -4.297 -4.927 -4.842 1.00 0.00 O ATOM 460 CB SER A 115 -3.870 -7.076 -7.112 1.00 0.00 C ATOM 461 OG SER A 115 -3.026 -7.517 -8.170 1.00 0.00 O ATOM 0 H SER A 115 -2.495 -4.552 -6.107 1.00 0.00 H new ATOM 0 HA SER A 115 -4.555 -5.241 -8.032 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.448 -7.389 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.845 -7.556 -7.202 1.00 0.00 H new ATOM 0 HG SER A 115 -2.936 -8.492 -8.132 1.00 0.00 H new ATOM 467 N ILE A 116 -6.182 -5.038 -6.038 1.00 0.00 N ATOM 468 CA ILE A 116 -7.059 -4.698 -4.931 1.00 0.00 C ATOM 469 C ILE A 116 -8.150 -5.747 -4.755 1.00 0.00 C ATOM 470 O ILE A 116 -8.735 -6.226 -5.735 1.00 0.00 O ATOM 471 CB ILE A 116 -7.743 -3.334 -5.170 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.713 -2.218 -5.252 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.778 -3.040 -4.088 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.296 -0.912 -5.649 1.00 0.00 C ATOM 0 H ILE A 116 -6.667 -5.180 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.439 -4.654 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.264 -3.385 -6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -6.225 -2.111 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -5.941 -2.497 -5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.243 -2.074 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.542 -3.818 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.290 -3.018 -3.114 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.509 -0.159 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.760 -1.004 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -8.048 -0.612 -4.919 1.00 0.00 H new ATOM 486 N ASP A 117 -8.383 -6.125 -3.537 1.00 0.00 N ATOM 487 CA ASP A 117 -9.482 -6.980 -3.192 1.00 0.00 C ATOM 488 C ASP A 117 -10.433 -6.152 -2.356 1.00 0.00 C ATOM 489 O ASP A 117 -10.181 -5.907 -1.169 1.00 0.00 O ATOM 490 CB ASP A 117 -9.040 -8.200 -2.401 1.00 0.00 C ATOM 491 CG ASP A 117 -10.128 -9.236 -2.328 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.075 -9.079 -1.538 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.044 -10.247 -3.070 1.00 0.00 O ATOM 0 H ASP A 117 -7.809 -5.846 -2.741 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.951 -7.353 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.154 -8.634 -2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.756 -7.898 -1.393 1.00 0.00 H new ATOM 498 N PHE A 118 -11.485 -5.682 -2.967 1.00 0.00 N ATOM 499 CA PHE A 118 -12.444 -4.817 -2.303 1.00 0.00 C ATOM 500 C PHE A 118 -13.211 -5.567 -1.221 1.00 0.00 C ATOM 501 O PHE A 118 -13.697 -4.964 -0.265 1.00 0.00 O ATOM 502 CB PHE A 118 -13.414 -4.194 -3.306 1.00 0.00 C ATOM 503 CG PHE A 118 -12.764 -3.323 -4.354 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.310 -2.049 -4.038 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.616 -3.775 -5.655 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.723 -1.246 -5.001 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.033 -2.978 -6.622 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.587 -1.711 -6.294 1.00 0.00 C ATOM 0 H PHE A 118 -11.710 -5.883 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 118 -11.880 -4.015 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -13.962 -4.993 -3.806 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -14.146 -3.598 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -12.416 -1.680 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -12.961 -4.764 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.372 -0.258 -4.741 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -11.926 -3.344 -7.632 1.00 0.00 H new ATOM 0 HZ PHE A 118 -11.133 -1.086 -7.048 1.00 0.00 H new ATOM 518 N LYS A 119 -13.292 -6.878 -1.357 1.00 0.00 N ATOM 519 CA LYS A 119 -14.003 -7.699 -0.399 1.00 0.00 C ATOM 520 C LYS A 119 -13.235 -7.790 0.914 1.00 0.00 C ATOM 521 O LYS A 119 -13.831 -7.799 1.992 1.00 0.00 O ATOM 522 CB LYS A 119 -14.260 -9.087 -0.968 1.00 0.00 C ATOM 523 CG LYS A 119 -15.081 -9.100 -2.254 1.00 0.00 C ATOM 524 CD LYS A 119 -16.489 -8.519 -2.072 1.00 0.00 C ATOM 525 CE LYS A 119 -17.317 -9.280 -1.031 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.514 -10.698 -1.382 1.00 0.00 N ATOM 0 H LYS A 119 -12.871 -7.398 -2.127 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.965 -7.228 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.302 -9.571 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.776 -9.685 -0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.555 -8.530 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.161 -10.125 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.410 -7.474 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -17.011 -8.538 -3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.822 -9.216 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.289 -8.799 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -18.136 -11.146 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -17.950 -10.765 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.595 -11.184 -1.391 1.00 0.00 H new ATOM 540 N ARG A 120 -11.914 -7.859 0.825 1.00 0.00 N ATOM 541 CA ARG A 120 -11.082 -7.886 2.033 1.00 0.00 C ATOM 542 C ARG A 120 -10.755 -6.476 2.477 1.00 0.00 C ATOM 543 O ARG A 120 -10.217 -6.272 3.574 1.00 0.00 O ATOM 544 CB ARG A 120 -9.744 -8.550 1.763 1.00 0.00 C ATOM 545 CG ARG A 120 -9.764 -9.964 1.276 1.00 0.00 C ATOM 546 CD ARG A 120 -8.342 -10.405 0.990 1.00 0.00 C ATOM 547 NE ARG A 120 -8.254 -11.772 0.509 1.00 0.00 N ATOM 548 CZ ARG A 120 -7.108 -12.421 0.275 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.931 -11.801 0.402 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.145 -13.683 -0.118 1.00 0.00 N ATOM 0 H ARG A 120 -11.396 -7.897 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.647 -8.432 2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.211 -7.948 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.160 -8.519 2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.217 -10.614 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.372 -10.044 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.903 -9.737 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.748 -10.307 1.899 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.126 -12.272 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -5.899 -10.820 0.681 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -5.065 -12.308 0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.042 -14.153 -0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -6.277 -14.186 -0.299 1.00 0.00 H new ATOM 564 N GLU A 121 -11.106 -5.509 1.625 1.00 0.00 N ATOM 565 CA GLU A 121 -10.752 -4.103 1.790 1.00 0.00 C ATOM 566 C GLU A 121 -9.203 -3.982 1.781 1.00 0.00 C ATOM 567 O GLU A 121 -8.616 -3.070 2.366 1.00 0.00 O ATOM 568 CB GLU A 121 -11.384 -3.526 3.091 1.00 0.00 C ATOM 569 CG GLU A 121 -11.286 -2.002 3.243 1.00 0.00 C ATOM 570 CD GLU A 121 -11.928 -1.491 4.513 1.00 0.00 C ATOM 571 OE1 GLU A 121 -13.143 -1.233 4.517 1.00 0.00 O ATOM 572 OE2 GLU A 121 -11.218 -1.310 5.530 1.00 0.00 O ATOM 0 H GLU A 121 -11.656 -5.689 0.785 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.152 -3.511 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.435 -3.812 3.123 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -10.900 -3.993 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -10.236 -1.708 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -11.761 -1.526 2.385 1.00 0.00 H new ATOM 579 N THR A 122 -8.547 -4.883 1.062 1.00 0.00 N ATOM 580 CA THR A 122 -7.103 -4.909 1.030 1.00 0.00 C ATOM 581 C THR A 122 -6.581 -4.864 -0.390 1.00 0.00 C ATOM 582 O THR A 122 -7.312 -5.094 -1.337 1.00 0.00 O ATOM 583 CB THR A 122 -6.524 -6.154 1.736 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.989 -7.346 1.097 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.900 -6.189 3.201 1.00 0.00 C ATOM 0 H THR A 122 -8.997 -5.602 0.496 1.00 0.00 H new ATOM 0 HA THR A 122 -6.775 -4.019 1.568 1.00 0.00 H new ATOM 0 HB THR A 122 -5.438 -6.097 1.662 1.00 0.00 H new ATOM 0 HG1 THR A 122 -6.351 -8.073 1.256 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.475 -7.079 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.511 -5.300 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 122 -7.985 -6.213 3.298 1.00 0.00 H new ATOM 593 N CYS A 123 -5.336 -4.556 -0.526 1.00 0.00 N ATOM 594 CA CYS A 123 -4.685 -4.498 -1.786 1.00 0.00 C ATOM 595 C CYS A 123 -3.235 -4.871 -1.646 1.00 0.00 C ATOM 596 O CYS A 123 -2.650 -4.683 -0.596 1.00 0.00 O ATOM 597 CB CYS A 123 -4.836 -3.115 -2.364 1.00 0.00 C ATOM 598 SG CYS A 123 -4.371 -1.811 -1.226 1.00 0.00 S ATOM 0 H CYS A 123 -4.727 -4.331 0.261 1.00 0.00 H new ATOM 0 HA CYS A 123 -5.147 -5.214 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.225 -3.037 -3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -5.872 -2.968 -2.669 1.00 0.00 H new ATOM 0 HG CYS A 123 -5.249 -1.736 -0.270 1.00 0.00 H new ATOM 604 N VAL A 124 -2.667 -5.371 -2.693 1.00 0.00 N ATOM 605 CA VAL A 124 -1.286 -5.750 -2.699 1.00 0.00 C ATOM 606 C VAL A 124 -0.515 -4.594 -3.260 1.00 0.00 C ATOM 607 O VAL A 124 -0.885 -4.052 -4.311 1.00 0.00 O ATOM 608 CB VAL A 124 -1.037 -7.010 -3.583 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.435 -7.416 -3.568 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.905 -8.169 -3.133 1.00 0.00 C ATOM 0 H VAL A 124 -3.149 -5.531 -3.578 1.00 0.00 H new ATOM 0 HA VAL A 124 -0.972 -5.997 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 124 -1.308 -6.750 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 124 0.576 -8.297 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 124 1.042 -6.597 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.739 -7.644 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -1.712 -9.035 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -1.672 -8.417 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -2.955 -7.889 -3.212 1.00 0.00 H new ATOM 620 N VAL A 125 0.520 -4.207 -2.584 1.00 0.00 N ATOM 621 CA VAL A 125 1.325 -3.115 -3.013 1.00 0.00 C ATOM 622 C VAL A 125 2.731 -3.598 -3.265 1.00 0.00 C ATOM 623 O VAL A 125 3.215 -4.526 -2.605 1.00 0.00 O ATOM 624 CB VAL A 125 1.355 -1.974 -1.944 1.00 0.00 C ATOM 625 CG1 VAL A 125 -0.038 -1.396 -1.718 1.00 0.00 C ATOM 626 CG2 VAL A 125 1.956 -2.470 -0.614 1.00 0.00 C ATOM 0 H VAL A 125 0.829 -4.643 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 125 0.893 -2.714 -3.930 1.00 0.00 H new ATOM 0 HB VAL A 125 1.995 -1.181 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 125 0.013 -0.605 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.418 -0.986 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.706 -2.183 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.963 -1.654 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 125 1.354 -3.292 -0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.976 -2.815 -0.782 1.00 0.00 H new ATOM 636 N VAL A 126 3.351 -3.012 -4.239 1.00 0.00 N ATOM 637 CA VAL A 126 4.696 -3.330 -4.586 1.00 0.00 C ATOM 638 C VAL A 126 5.560 -2.172 -4.214 1.00 0.00 C ATOM 639 O VAL A 126 5.355 -1.060 -4.706 1.00 0.00 O ATOM 640 CB VAL A 126 4.868 -3.618 -6.097 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.329 -3.928 -6.414 1.00 0.00 C ATOM 642 CG2 VAL A 126 3.984 -4.768 -6.530 1.00 0.00 C ATOM 0 H VAL A 126 2.930 -2.289 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 126 4.978 -4.235 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 126 4.568 -2.728 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.435 -4.129 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 126 6.949 -3.074 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.647 -4.803 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.122 -4.952 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.252 -5.664 -5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.941 -4.518 -6.337 1.00 0.00 H new ATOM 652 N TYR A 127 6.482 -2.413 -3.338 1.00 0.00 N ATOM 653 CA TYR A 127 7.387 -1.394 -2.885 1.00 0.00 C ATOM 654 C TYR A 127 8.368 -1.043 -3.964 1.00 0.00 C ATOM 655 O TYR A 127 9.132 -1.909 -4.463 1.00 0.00 O ATOM 656 CB TYR A 127 8.104 -1.823 -1.639 1.00 0.00 C ATOM 657 CG TYR A 127 7.188 -2.036 -0.481 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.773 -0.962 0.286 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.743 -3.306 -0.140 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.947 -1.136 1.350 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.916 -3.491 0.924 1.00 0.00 C ATOM 662 CZ TYR A 127 5.518 -2.390 1.675 1.00 0.00 C ATOM 663 OH TYR A 127 4.661 -2.533 2.733 1.00 0.00 O ATOM 0 H TYR A 127 6.633 -3.327 -2.911 1.00 0.00 H new ATOM 0 HA TYR A 127 6.802 -0.506 -2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.648 -2.746 -1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 127 8.845 -1.068 -1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 127 7.112 0.032 0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.057 -4.157 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 127 5.631 -0.286 1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 127 5.572 -4.482 1.183 1.00 0.00 H new ATOM 0 HH TYR A 127 4.455 -1.652 3.109 1.00 0.00 H new ATOM 673 N THR A 128 8.343 0.200 -4.312 1.00 0.00 N ATOM 674 CA THR A 128 9.120 0.756 -5.361 1.00 0.00 C ATOM 675 C THR A 128 10.611 0.625 -5.082 1.00 0.00 C ATOM 676 O THR A 128 11.080 0.938 -3.988 1.00 0.00 O ATOM 677 CB THR A 128 8.752 2.233 -5.478 1.00 0.00 C ATOM 678 OG1 THR A 128 7.324 2.341 -5.589 1.00 0.00 O ATOM 679 CG2 THR A 128 9.407 2.851 -6.686 1.00 0.00 C ATOM 0 H THR A 128 7.749 0.887 -3.847 1.00 0.00 H new ATOM 0 HA THR A 128 8.911 0.220 -6.287 1.00 0.00 H new ATOM 0 HB THR A 128 9.103 2.764 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 128 7.072 3.285 -5.663 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.132 3.904 -6.751 1.00 0.00 H new ATOM 0 HG22 THR A 128 10.490 2.764 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 128 9.074 2.333 -7.585 1.00 0.00 H new ATOM 687 N GLY A 129 11.340 0.136 -6.066 1.00 0.00 N ATOM 688 CA GLY A 129 12.773 0.020 -5.960 1.00 0.00 C ATOM 689 C GLY A 129 13.201 -1.261 -5.291 1.00 0.00 C ATOM 690 O GLY A 129 14.371 -1.653 -5.372 1.00 0.00 O ATOM 0 H GLY A 129 10.955 -0.189 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 129 13.213 0.070 -6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.162 0.868 -5.396 1.00 0.00 H new ATOM 694 N TYR A 130 12.280 -1.904 -4.616 1.00 0.00 N ATOM 695 CA TYR A 130 12.582 -3.130 -3.916 1.00 0.00 C ATOM 696 C TYR A 130 12.042 -4.328 -4.658 1.00 0.00 C ATOM 697 O TYR A 130 12.718 -5.347 -4.786 1.00 0.00 O ATOM 698 CB TYR A 130 12.026 -3.092 -2.501 1.00 0.00 C ATOM 699 CG TYR A 130 12.530 -1.926 -1.695 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.806 -1.927 -1.168 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.728 -0.821 -1.462 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.270 -0.865 -0.429 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.180 0.248 -0.728 1.00 0.00 C ATOM 704 CZ TYR A 130 13.451 0.224 -0.212 1.00 0.00 C ATOM 705 OH TYR A 130 13.911 1.296 0.524 1.00 0.00 O ATOM 0 H TYR A 130 11.310 -1.598 -4.536 1.00 0.00 H new ATOM 0 HA TYR A 130 13.667 -3.223 -3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 130 10.938 -3.050 -2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 130 12.288 -4.018 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 130 14.450 -2.777 -1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 130 10.727 -0.800 -1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 130 15.270 -0.883 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 130 11.540 1.101 -0.558 1.00 0.00 H new ATOM 0 HH TYR A 130 13.353 1.409 1.322 1.00 0.00 H new ATOM 715 N GLY A 131 10.827 -4.209 -5.143 1.00 0.00 N ATOM 716 CA GLY A 131 10.212 -5.308 -5.855 1.00 0.00 C ATOM 717 C GLY A 131 9.465 -6.232 -4.922 1.00 0.00 C ATOM 718 O GLY A 131 9.081 -7.344 -5.293 1.00 0.00 O ATOM 0 H GLY A 131 10.250 -3.372 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 131 9.525 -4.916 -6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 131 10.979 -5.871 -6.387 1.00 0.00 H new ATOM 722 N ASN A 132 9.274 -5.785 -3.707 1.00 0.00 N ATOM 723 CA ASN A 132 8.537 -6.549 -2.715 1.00 0.00 C ATOM 724 C ASN A 132 7.086 -6.284 -2.864 1.00 0.00 C ATOM 725 O ASN A 132 6.695 -5.200 -3.279 1.00 0.00 O ATOM 726 CB ASN A 132 8.922 -6.180 -1.292 1.00 0.00 C ATOM 727 CG ASN A 132 10.198 -6.791 -0.781 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.143 -7.070 -1.531 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.247 -6.975 0.513 1.00 0.00 N ATOM 0 H ASN A 132 9.620 -4.886 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 132 8.779 -7.598 -2.885 1.00 0.00 H new ATOM 0 HB2 ASN A 132 9.010 -5.095 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 132 8.109 -6.473 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 132 11.088 -7.363 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 132 9.445 -6.731 1.094 1.00 0.00 H new ATOM 736 N ARG A 133 6.292 -7.233 -2.501 1.00 0.00 N ATOM 737 CA ARG A 133 4.874 -7.084 -2.588 1.00 0.00 C ATOM 738 C ARG A 133 4.226 -7.647 -1.347 1.00 0.00 C ATOM 739 O ARG A 133 4.614 -8.726 -0.868 1.00 0.00 O ATOM 740 CB ARG A 133 4.338 -7.706 -3.909 1.00 0.00 C ATOM 741 CG ARG A 133 4.687 -9.186 -4.151 1.00 0.00 C ATOM 742 CD ARG A 133 3.733 -10.143 -3.449 1.00 0.00 C ATOM 743 NE ARG A 133 4.147 -11.539 -3.602 1.00 0.00 N ATOM 744 CZ ARG A 133 3.578 -12.581 -2.987 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.487 -12.416 -2.253 1.00 0.00 N ATOM 746 NH2 ARG A 133 4.088 -13.785 -3.123 1.00 0.00 N ATOM 0 H ARG A 133 6.603 -8.133 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 133 4.611 -6.027 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 133 3.253 -7.603 -3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 133 4.723 -7.122 -4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 133 4.672 -9.387 -5.222 1.00 0.00 H new ATOM 0 HG3 ARG A 133 5.703 -9.376 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 133 3.684 -9.893 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 133 2.729 -10.016 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 133 4.930 -11.732 -4.226 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.075 -11.488 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 133 2.060 -13.217 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.919 -13.925 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.653 -14.579 -2.653 1.00 0.00 H new ATOM 760 N GLU A 134 3.289 -6.923 -0.812 1.00 0.00 N ATOM 761 CA GLU A 134 2.597 -7.335 0.374 1.00 0.00 C ATOM 762 C GLU A 134 1.223 -6.694 0.392 1.00 0.00 C ATOM 763 O GLU A 134 0.987 -5.715 -0.326 1.00 0.00 O ATOM 764 CB GLU A 134 3.405 -7.066 1.638 1.00 0.00 C ATOM 765 CG GLU A 134 3.378 -5.677 2.147 1.00 0.00 C ATOM 766 CD GLU A 134 4.326 -5.495 3.313 1.00 0.00 C ATOM 767 OE1 GLU A 134 5.374 -6.166 3.366 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.039 -4.696 4.211 1.00 0.00 O ATOM 0 H GLU A 134 2.981 -6.026 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 134 2.467 -8.417 0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.040 -7.726 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.442 -7.341 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 134 3.649 -4.989 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.365 -5.422 2.457 1.00 0.00 H new ATOM 775 N GLU A 135 0.318 -7.274 1.124 1.00 0.00 N ATOM 776 CA GLU A 135 -1.046 -6.852 1.103 1.00 0.00 C ATOM 777 C GLU A 135 -1.379 -5.958 2.288 1.00 0.00 C ATOM 778 O GLU A 135 -1.142 -6.313 3.457 1.00 0.00 O ATOM 779 CB GLU A 135 -1.941 -8.050 1.081 1.00 0.00 C ATOM 780 CG GLU A 135 -3.311 -7.746 0.535 1.00 0.00 C ATOM 781 CD GLU A 135 -4.154 -8.965 0.302 1.00 0.00 C ATOM 782 OE1 GLU A 135 -3.948 -9.646 -0.713 1.00 0.00 O ATOM 783 OE2 GLU A 135 -5.079 -9.230 1.091 1.00 0.00 O ATOM 0 H GLU A 135 0.508 -8.054 1.753 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.206 -6.262 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -1.480 -8.831 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -2.037 -8.444 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -3.830 -7.084 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.205 -7.204 -0.405 1.00 0.00 H new ATOM 790 N GLN A 136 -1.932 -4.830 1.968 1.00 0.00 N ATOM 791 CA GLN A 136 -2.303 -3.788 2.909 1.00 0.00 C ATOM 792 C GLN A 136 -3.747 -3.483 2.784 1.00 0.00 C ATOM 793 O GLN A 136 -4.355 -3.825 1.801 1.00 0.00 O ATOM 794 CB GLN A 136 -1.527 -2.479 2.690 1.00 0.00 C ATOM 795 CG GLN A 136 -0.270 -2.339 3.513 1.00 0.00 C ATOM 796 CD GLN A 136 0.910 -3.058 2.947 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.795 -4.036 2.268 1.00 0.00 O ATOM 798 NE2 GLN A 136 2.043 -2.603 3.281 1.00 0.00 N ATOM 0 H GLN A 136 -2.152 -4.587 1.002 1.00 0.00 H new ATOM 0 HA GLN A 136 -2.060 -4.173 3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.263 -2.402 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.186 -1.641 2.915 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.026 -1.281 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.463 -2.713 4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 136 2.106 -1.766 3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.893 -3.073 2.970 1.00 0.00 H new ATOM 807 N ASN A 137 -4.289 -2.827 3.754 1.00 0.00 N ATOM 808 CA ASN A 137 -5.680 -2.445 3.693 1.00 0.00 C ATOM 809 C ASN A 137 -5.783 -1.152 2.929 1.00 0.00 C ATOM 810 O ASN A 137 -4.898 -0.308 3.031 1.00 0.00 O ATOM 811 CB ASN A 137 -6.282 -2.241 5.089 1.00 0.00 C ATOM 812 CG ASN A 137 -6.181 -3.450 5.991 1.00 0.00 C ATOM 813 OD1 ASN A 137 -7.090 -4.289 6.049 1.00 0.00 O ATOM 814 ND2 ASN A 137 -5.092 -3.546 6.710 1.00 0.00 N ATOM 0 H ASN A 137 -3.800 -2.539 4.602 1.00 0.00 H new ATOM 0 HA ASN A 137 -6.233 -3.246 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.781 -1.401 5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.332 -1.968 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.969 -4.333 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.366 -2.834 6.633 1.00 0.00 H new ATOM 821 N LEU A 138 -6.863 -0.981 2.197 1.00 0.00 N ATOM 822 CA LEU A 138 -7.128 0.254 1.419 1.00 0.00 C ATOM 823 C LEU A 138 -7.171 1.442 2.371 1.00 0.00 C ATOM 824 O LEU A 138 -6.761 2.552 2.050 1.00 0.00 O ATOM 825 CB LEU A 138 -8.482 0.123 0.685 1.00 0.00 C ATOM 826 CG LEU A 138 -8.588 -1.033 -0.307 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.027 -1.231 -0.728 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.736 -0.754 -1.523 1.00 0.00 C ATOM 0 H LEU A 138 -7.596 -1.685 2.111 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.337 0.404 0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -9.269 0.011 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -8.677 1.054 0.152 1.00 0.00 H new ATOM 0 HG LEU A 138 -8.232 -1.941 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -10.089 -2.058 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -10.635 -1.457 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -10.396 -0.321 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.819 -1.585 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -8.078 0.162 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.696 -0.638 -1.219 1.00 0.00 H new ATOM 840 N SER A 139 -7.638 1.159 3.553 1.00 0.00 N ATOM 841 CA SER A 139 -7.771 2.073 4.597 1.00 0.00 C ATOM 842 C SER A 139 -6.421 2.420 5.261 1.00 0.00 C ATOM 843 O SER A 139 -6.266 3.474 5.880 1.00 0.00 O ATOM 844 CB SER A 139 -8.655 1.383 5.565 1.00 0.00 C ATOM 845 OG SER A 139 -9.845 0.956 4.911 1.00 0.00 O ATOM 0 H SER A 139 -7.949 0.221 3.806 1.00 0.00 H new ATOM 0 HA SER A 139 -8.167 3.025 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.138 0.526 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.902 2.054 6.388 1.00 0.00 H new ATOM 0 HG SER A 139 -10.169 0.131 5.328 1.00 0.00 H new ATOM 851 N ASP A 140 -5.467 1.542 5.113 1.00 0.00 N ATOM 852 CA ASP A 140 -4.163 1.681 5.783 1.00 0.00 C ATOM 853 C ASP A 140 -3.201 2.376 4.881 1.00 0.00 C ATOM 854 O ASP A 140 -2.175 2.847 5.319 1.00 0.00 O ATOM 855 CB ASP A 140 -3.611 0.313 6.093 1.00 0.00 C ATOM 856 CG ASP A 140 -2.748 0.260 7.345 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.519 0.469 7.261 1.00 0.00 O ATOM 858 OD2 ASP A 140 -3.288 -0.040 8.435 1.00 0.00 O ATOM 0 H ASP A 140 -5.551 0.708 4.532 1.00 0.00 H new ATOM 0 HA ASP A 140 -4.298 2.256 6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.441 -0.384 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.021 -0.030 5.243 1.00 0.00 H new ATOM 863 N LEU A 141 -3.519 2.367 3.610 1.00 0.00 N ATOM 864 CA LEU A 141 -2.706 3.017 2.581 1.00 0.00 C ATOM 865 C LEU A 141 -2.595 4.502 2.807 1.00 0.00 C ATOM 866 O LEU A 141 -3.567 5.174 3.189 1.00 0.00 O ATOM 867 CB LEU A 141 -3.269 2.793 1.185 1.00 0.00 C ATOM 868 CG LEU A 141 -3.331 1.371 0.668 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.851 1.377 -0.752 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.969 0.731 0.724 1.00 0.00 C ATOM 0 H LEU A 141 -4.354 1.908 3.245 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.719 2.560 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -4.279 3.202 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.672 3.378 0.485 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.006 0.790 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -3.897 0.355 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -4.848 1.816 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -3.183 1.965 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -2.031 -0.291 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -1.273 1.302 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -1.615 0.718 1.755 1.00 0.00 H new ATOM 882 N LEU A 142 -1.432 5.023 2.551 1.00 0.00 N ATOM 883 CA LEU A 142 -1.203 6.419 2.714 1.00 0.00 C ATOM 884 C LEU A 142 -0.922 7.048 1.380 1.00 0.00 C ATOM 885 O LEU A 142 -0.604 6.342 0.417 1.00 0.00 O ATOM 886 CB LEU A 142 -0.068 6.717 3.717 1.00 0.00 C ATOM 887 CG LEU A 142 -0.271 6.208 5.157 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.104 4.737 5.314 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.447 7.088 6.163 1.00 0.00 C ATOM 0 H LEU A 142 -0.624 4.493 2.226 1.00 0.00 H new ATOM 0 HA LEU A 142 -2.108 6.857 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.853 6.283 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.079 7.796 3.754 1.00 0.00 H new ATOM 0 HG LEU A 142 -1.338 6.275 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -0.057 4.429 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -0.516 4.131 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.154 4.599 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 142 0.283 6.700 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.515 7.092 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 142 0.060 8.105 6.099 1.00 0.00 H new ATOM 901 N SER A 143 -1.036 8.356 1.325 1.00 0.00 N ATOM 902 CA SER A 143 -0.795 9.119 0.124 1.00 0.00 C ATOM 903 C SER A 143 0.675 8.928 -0.279 1.00 0.00 C ATOM 904 O SER A 143 1.546 8.849 0.607 1.00 0.00 O ATOM 905 CB SER A 143 -1.108 10.606 0.418 1.00 0.00 C ATOM 906 OG SER A 143 -0.997 11.419 -0.738 1.00 0.00 O ATOM 0 H SER A 143 -1.303 8.927 2.127 1.00 0.00 H new ATOM 0 HA SER A 143 -1.430 8.786 -0.697 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.117 10.689 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 143 -0.426 10.974 1.185 1.00 0.00 H new ATOM 0 HG SER A 143 -1.205 12.348 -0.506 1.00 0.00 H new